N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide

C22H16FN3O3S — CID 142393412

IUPACN-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c(F)c1
InChIInChI=1S/C22H16FN3O3S/c23-19-10-16(12-24)6-9-20(19)26-30(27,28)22-13-25-21-11-17(7-8-18(21)22)29-14-15-4-2-1-3-5-15/h1-11,13,25-26H,14H2
InChIKeyUTQOBOVLMLYIES-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.56
Rot. Bonds6

About N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide

N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide (PubChem CID 142393412) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide
PubChem CID142393412
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC NameN-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c(F)c1
InChIInChI=1S/C22H16FN3O3S/c23-19-10-16(12-24)6-9-20(19)26-30(27,28)22-13-25-21-11-17(7-8-18(21)22)29-14-15-4-2-1-3-5-15/h1-11,13,25-26H,14H2
InChIKeyUTQOBOVLMLYIES-UHFFFAOYSA-N
XLogP4.56
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-cyano-2-fluorophenyl)-5-fluoro-1H-pyrrole-3-sulfonamide
CID 166153238
N-(4-ethynyl-2-fluorophenyl)-6-methoxy-1H-indole-3-sulfonamide
CID 135187062
2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide
CID 171650317
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
N-(4-cyano-2-fluorophenyl)-6-methoxy-6-methyl-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 171649847
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 166153747
N-(4-cyano-2-fluorophenyl)-4-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 167206949
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
CID 135201013
3-[(4-methylphenyl)sulfonylmethyl]-6-phenylmethoxy-1H-indole
CID 146164618

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide (CID 142393412) is N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide?
The InChIKey is UTQOBOVLMLYIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-19-10-16(12-24)6-9-20(19)26-30(27,28)22-13-25-21-11-17(7-8-18(21)22)29-14-15-4-2-1-3-5-15/h1-11,13,25-26H,14H2.
What are the key properties of N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide?
N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide has a molecular weight of 421.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-6-phenylmethoxy-1H-indole-3-sulfonamide is sourced from PubChem (CID 142393412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).