6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide

C30H20ClF7N4O6S3 — CID 135188471

IUPAC6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide
SMILESCS(=O)c1ccc2c(S(=O)(=O)Nc3cc(F)c(OC(F)F)cc3F)c[nH]c2c1.O=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12F4N2O4S2.C14H8ClF3N2O2S/c1-27(23)8-2-3-9-12(4-8)21-7-15(9)28(24,25)22-13-5-11(18)14(6-10(13)17)26-16(19)20;15-7-1-2-8-12(3-7)19-6-14(8)23(21,22)20-13-5-10(17)9(16)4-11(13)18/h2-7,16,21-22H,1H3;1-6,19-20H
InChIKeyRCVMTDVQQGOWNZ-UHFFFAOYSA-N
MW797.15 g/mol
LogP7.63
Rot. Bonds9

About 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide

6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide (PubChem CID 135188471) has the molecular formula C30H20ClF7N4O6S3 and a molecular weight of 797.15 g/mol. Its IUPAC name is 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide
PubChem CID135188471
Molecular FormulaC30H20ClF7N4O6S3
Molecular Weight797.15 g/mol
Exact Mass796.01
IUPAC Name6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide
SMILESCS(=O)c1ccc2c(S(=O)(=O)Nc3cc(F)c(OC(F)F)cc3F)c[nH]c2c1.O=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12F4N2O4S2.C14H8ClF3N2O2S/c1-27(23)8-2-3-9-12(4-8)21-7-15(9)28(24,25)22-13-5-11(18)14(6-10(13)17)26-16(19)20;15-7-1-2-8-12(3-7)19-6-14(8)23(21,22)20-13-5-10(17)9(16)4-11(13)18/h2-7,16,21-22H,1H3;1-6,19-20H
InChIKeyRCVMTDVQQGOWNZ-UHFFFAOYSA-N
XLogP7.63
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.15
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135188145
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
CID 146237430
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
CID 135201179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide (CID 135188471) is 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide is CS(=O)c1ccc2c(S(=O)(=O)Nc3cc(F)c(OC(F)F)cc3F)c[nH]c2c1.O=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide?
The InChIKey is RCVMTDVQQGOWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O4S2.C14H8ClF3N2O2S/c1-27(23)8-2-3-9-12(4-8)21-7-15(9)28(24,25)22-13-5-11(18)14(6-10(13)17)26-16(19)20;15-7-1-2-8-12(3-7)19-6-14(8)23(21,22)20-13-5-10(17)9(16)4-11(13)18/h2-7,16,21-22H,1H3;1-6,19-20H.
What are the key properties of 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide?
6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide has a molecular weight of 797.15 g/mol, XLogP of 7.63, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 135188471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).