N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H12F3N3O2S — CID 139366348

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C17H12F3N3O2S/c1-10-5-6-14(16-15(10)11(8-21)9-22-16)23-26(24,25)13-4-2-3-12(7-13)17(18,19)20/h2-7,9,22-23H,1H3
InChIKeyZEBFHRMUEJKWDU-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.17
Rot. Bonds3

About N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 139366348) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID139366348
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C17H12F3N3O2S/c1-10-5-6-14(16-15(10)11(8-21)9-22-16)23-26(24,25)13-4-2-3-12(7-13)17(18,19)20/h2-7,9,22-23H,1H3
InChIKeyZEBFHRMUEJKWDU-UHFFFAOYSA-N
XLogP4.17
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

E 7820
CID 196970
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
(S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749808
4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile
CID 45375865
6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile
CID 45375866
N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
CID 53320087
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11385064
4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3161290
N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
CID 135735430
N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 139366348) is N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZEBFHRMUEJKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c1-10-5-6-14(16-15(10)11(8-21)9-22-16)23-26(24,25)13-4-2-3-12(7-13)17(18,19)20/h2-7,9,22-23H,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 139366348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).