N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide

C125H103F11N16O27S5 — CID 157435778

IUPACN-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
SMILESCCc1cc2c(C3=CC=CCC3=O)c(C(=O)CS(C)(=O)=O)n(Cc3cc(C(N)=O)ccc3F)c2cc1F.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cc([N+](=O)[O-])ccc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F.O=C1CC=CC=C1c1c(C(=O)NS(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2ccc(F)cc12
InChIInChI=1S/C27H24F2N2O5S.C25H19F2N3O6S.C25H21FN4O6S.C25H23FN4O6S.C23H16F5N3O4S/c1-3-15-11-19-22(12-21(15)29)31(13-17-10-16(27(30)34)8-9-20(17)28)26(24(33)14-37(2,35)36)25(19)18-6-4-5-7-23(18)32;26-15-5-10-21-19(12-15)23(18-3-1-2-4-22(18)31)24(25(32)28-37(35,36)17-7-8-17)29(21)13-14-11-16(30(33)34)6-9-20(14)27;1-14-4-9-21-19(11-14)22(18-3-2-10-27-24(18)31)23(25(32)28-37(35,36)17-6-7-17)29(21)13-15-12-16(30(33)34)5-8-20(15)26;1-14(2)37(35,36)28-25(32)23-22(18-5-4-10-27-24(18)31)19-11-15(3)6-9-21(19)29(23)13-16-12-17(30(33)34)7-8-20(16)26;1-36(34,35)30-22(33)20-19(15-3-2-8-29-21(15)32)16-10-13(23(26,27)28)4-7-18(16)31(20)11-12-9-14(24)5-6-17(12)25/h4-6,8-12H,3,7,13-14H2,1-2H3,(H2,30,34);1-3,5-6,9-12,17H,4,7-8,13H2,(H,28,32);2-5,8-12,17H,6-7,13H2,1H3,(H,27,31)(H,28,32);4-12,14H,13H2,1-3H3,(H,27,31)(H,28,32);2-10H,11H2,1H3,(H,29,32)(H,30,33)
InChIKeyBRBRLKDETUSHPR-UHFFFAOYSA-N
MW2630.60 g/mol
LogP19.30
Rot. Bonds34

About N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide

N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide (PubChem CID 157435778) has the molecular formula C125H103F11N16O27S5 and a molecular weight of 2630.60 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
PubChem CID157435778
Molecular FormulaC125H103F11N16O27S5
Molecular Weight2630.60 g/mol
Exact Mass2628.56
IUPAC NameN-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
SMILESCCc1cc2c(C3=CC=CCC3=O)c(C(=O)CS(C)(=O)=O)n(Cc3cc(C(N)=O)ccc3F)c2cc1F.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cc([N+](=O)[O-])ccc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F.O=C1CC=CC=C1c1c(C(=O)NS(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2ccc(F)cc12
InChIInChI=1S/C27H24F2N2O5S.C25H19F2N3O6S.C25H21FN4O6S.C25H23FN4O6S.C23H16F5N3O4S/c1-3-15-11-19-22(12-21(15)29)31(13-17-10-16(27(30)34)8-9-20(17)28)26(24(33)14-37(2,35)36)25(19)18-6-4-5-7-23(18)32;26-15-5-10-21-19(12-15)23(18-3-1-2-4-22(18)31)24(25(32)28-37(35,36)17-7-8-17)29(21)13-14-11-16(30(33)34)6-9-20(14)27;1-14-4-9-21-19(11-14)22(18-3-2-10-27-24(18)31)23(25(32)28-37(35,36)17-6-7-17)29(21)13-15-12-16(30(33)34)5-8-20(15)26;1-14(2)37(35,36)28-25(32)23-22(18-5-4-10-27-24(18)31)19-11-15(3)6-9-21(19)29(23)13-16-12-17(30(33)34)7-8-20(16)26;1-36(34,35)30-22(33)20-19(15-3-2-8-29-21(15)32)16-10-13(23(26,27)28)4-7-18(16)31(20)11-12-9-14(24)5-6-17(12)25/h4-6,8-12H,3,7,13-14H2,1-2H3,(H2,30,34);1-3,5-6,9-12,17H,4,7-8,13H2,(H,28,32);2-5,8-12,17H,6-7,13H2,1H3,(H,27,31)(H,28,32);4-12,14H,13H2,1-3H3,(H,27,31)(H,28,32);2-10H,11H2,1H3,(H,29,32)(H,30,33)
InChIKeyBRBRLKDETUSHPR-UHFFFAOYSA-N
XLogP19.30
TPSA634.05 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002630.60
LogP ≤ 519.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide with MolForge

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Related Compounds

1-[(2-chloroquinolin-3-yl)methyl]-N-cyclopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-(dimethylsulfamoyl)-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-propan-2-ylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 161189200
3-[5-tert-butyl-2-(2-cyclopropylsulfonylacetyl)-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 58132435
1-[(2,5-difluorophenyl)methyl]-5-[(2S)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
CID 58132280
5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 161123093
N-cyclopropylsulfonyl-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-5-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132595
2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5-(trifluoromethyl)indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(trifluoromethyl)indol-3-yl]-1H-pyridin-2-one
CID 160709329
6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 159544343
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
1-[(2,4-difluorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 58132881
3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one
CID 59622975
N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132621
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide (CID 157435778) is N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide is CCc1cc2c(C3=CC=CCC3=O)c(C(=O)CS(C)(=O)=O)n(Cc3cc(C(N)=O)ccc3F)c2cc1F.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cc([N+](=O)[O-])ccc1F.Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F.O=C1CC=CC=C1c1c(C(=O)NS(=O)(=O)C2CC2)n(Cc2cc([N+](=O)[O-])ccc2F)c2ccc(F)cc12.
What is the InChIKey of N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The InChIKey is BRBRLKDETUSHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O5S.C25H19F2N3O6S.C25H21FN4O6S.C25H23FN4O6S.C23H16F5N3O4S/c1-3-15-11-19-22(12-21(15)29)31(13-17-10-16(27(30)34)8-9-20(17)28)26(24(33)14-37(2,35)36)25(19)18-6-4-5-7-23(18)32;26-15-5-10-21-19(12-15)23(18-3-1-2-4-22(18)31)24(25(32)28-37(35,36)17-7-8-17)29(21)13-14-11-16(30(33)34)6-9-20(14)27;1-14-4-9-21-19(11-14)22(18-3-2-10-27-24(18)31)23(25(32)28-37(35,36)17-6-7-17)29(21)13-15-12-16(30(33)34)5-8-20(15)26;1-14(2)37(35,36)28-25(32)23-22(18-5-4-10-27-24(18)31)19-11-15(3)6-9-21(19)29(23)13-16-12-17(30(33)34)7-8-20(16)26;1-36(34,35)30-22(33)20-19(15-3-2-8-29-21(15)32)16-10-13(23(26,27)28)4-7-18(16)31(20)11-12-9-14(24)5-6-17(12)25/h4-6,8-12H,3,7,13-14H2,1-2H3,(H2,30,34);1-3,5-6,9-12,17H,4,7-8,13H2,(H,28,32);2-5,8-12,17H,6-7,13H2,1H3,(H,27,31)(H,28,32);4-12,14H,13H2,1-3H3,(H,27,31)(H,28,32);2-10H,11H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide has a molecular weight of 2630.60 g/mol, XLogP of 19.30, 34 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide;3-[[5-ethyl-6-fluoro-2-(2-methylsulfonylacetyl)-3-(6-oxocyclohexa-1,3-dien-1-yl)indol-1-yl]methyl]-4-fluorobenzamide;1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide is sourced from PubChem (CID 157435778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).