5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide

C117H97Cl6FN14O26S9 — CID 158129895

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
SMILESCS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2Cl)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(Cl)c2)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(C3=CC=CCC3=O)c3cc(Cl)ccc3n2Cc2cccc(NS(C)(=O)=O)c2)c1.Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O
InChIInChI=1S/C31H28ClN3O8S3.C29H23Cl2N3O6S2.C29H24ClFN4O6S2.C28H22Cl2N4O6S2/c1-44(38,39)19-21-8-6-10-24(16-21)46(42,43)34-31(37)30-29(25-11-3-4-12-28(25)36)26-17-22(32)13-14-27(26)35(30)18-20-7-5-9-23(15-20)33-45(2,40)41;1-41(37,38)17-18-6-4-8-21(14-18)42(39,40)33-29(36)27-26(22-9-5-13-32-28(22)35)23-15-20(30)11-12-25(23)34(27)16-19-7-2-3-10-24(19)31;1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31;1-41(37,38)16-18-4-2-5-20(12-18)42(39,40)33-28(36)26-25(21-6-3-10-32-27(21)35)22-14-19(29)7-8-23(22)34(26)15-17-9-11-31-24(30)13-17/h3-11,13-17,33H,12,18-19H2,1-2H3,(H,34,37);2-15H,16-17H2,1H3,(H,32,35)(H,33,36);3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37);2-14H,15-16H2,1H3,(H,32,35)(H,33,36)
InChIKeyFSQJASUWFRZUIH-UHFFFAOYSA-N
MW2635.45 g/mol
LogP18.35
Rot. Bonds34

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide (PubChem CID 158129895) has the molecular formula C117H97Cl6FN14O26S9 and a molecular weight of 2635.45 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
PubChem CID158129895
Molecular FormulaC117H97Cl6FN14O26S9
Molecular Weight2635.45 g/mol
Exact Mass2630.23
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
SMILESCS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2Cl)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(Cl)c2)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(C3=CC=CCC3=O)c3cc(Cl)ccc3n2Cc2cccc(NS(C)(=O)=O)c2)c1.Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O
InChIInChI=1S/C31H28ClN3O8S3.C29H23Cl2N3O6S2.C29H24ClFN4O6S2.C28H22Cl2N4O6S2/c1-44(38,39)19-21-8-6-10-24(16-21)46(42,43)34-31(37)30-29(25-11-3-4-12-28(25)36)26-17-22(32)13-14-27(26)35(30)18-20-7-5-9-23(15-20)33-45(2,40)41;1-41(37,38)17-18-6-4-8-21(14-18)42(39,40)33-29(36)27-26(22-9-5-13-32-28(22)35)23-15-20(30)11-12-25(23)34(27)16-19-7-2-3-10-24(19)31;1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31;1-41(37,38)16-18-4-2-5-20(12-18)42(39,40)33-28(36)26-25(21-6-3-10-32-27(21)35)22-14-19(29)7-8-23(22)34(26)15-17-9-11-31-24(30)13-17/h3-11,13-17,33H,12,18-19H2,1-2H3,(H,34,37);2-15H,16-17H2,1H3,(H,32,35)(H,33,36);3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37);2-14H,15-16H2,1H3,(H,32,35)(H,33,36)
InChIKeyFSQJASUWFRZUIH-UHFFFAOYSA-N
XLogP18.35
TPSA595.98 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002635.45
LogP ≤ 518.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide (CID 158129895) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide is CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2Cl)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(Cl)c2)c1.CS(=O)(=O)Cc1cccc(S(=O)(=O)NC(=O)c2c(C3=CC=CCC3=O)c3cc(Cl)ccc3n2Cc2cccc(NS(C)(=O)=O)c2)c1.Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
The InChIKey is FSQJASUWFRZUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN3O8S3.C29H23Cl2N3O6S2.C29H24ClFN4O6S2.C28H22Cl2N4O6S2/c1-44(38,39)19-21-8-6-10-24(16-21)46(42,43)34-31(37)30-29(25-11-3-4-12-28(25)36)26-17-22(32)13-14-27(26)35(30)18-20-7-5-9-23(15-20)33-45(2,40)41;1-41(37,38)17-18-6-4-8-21(14-18)42(39,40)33-29(36)27-26(22-9-5-13-32-28(22)35)23-15-20(30)11-12-25(23)34(27)16-19-7-2-3-10-24(19)31;1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31;1-41(37,38)16-18-4-2-5-20(12-18)42(39,40)33-28(36)26-25(21-6-3-10-32-27(21)35)22-14-19(29)7-8-23(22)34(26)15-17-9-11-31-24(30)13-17/h3-11,13-17,33H,12,18-19H2,1-2H3,(H,34,37);2-15H,16-17H2,1H3,(H,32,35)(H,33,36);3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37);2-14H,15-16H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide has a molecular weight of 2635.45 g/mol, XLogP of 18.35, 34 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide is sourced from PubChem (CID 158129895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).