N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

C14H10F2N4O2S2 — CID 171664641

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C(F)F)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C14H10F2N4O2S2/c1-7-2-3-9(12-11(7)8(4-17)5-18-12)20-24(21,22)10-6-19-14(23-10)13(15)16/h2-3,5-6,13,18,20H,1H3
InChIKeyNBGYEIBYHXBSMO-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.54
Rot. Bonds4

About N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 171664641) has the molecular formula C14H10F2N4O2S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
PubChem CID171664641
Molecular FormulaC14H10F2N4O2S2
Molecular Weight368.39 g/mol
Exact Mass368.02
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C(F)F)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C14H10F2N4O2S2/c1-7-2-3-9(12-11(7)8(4-17)5-18-12)20-24(21,22)10-6-19-14(23-10)13(15)16/h2-3,5-6,13,18,20H,1H3
InChIKeyNBGYEIBYHXBSMO-UHFFFAOYSA-N
XLogP3.54
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

6-(3-cyano-5-fluoro-6-methyl-1-thiazol-5-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733643
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 139366348
N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
CID 155116682
N-[3-(6-cyano-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-methylphenyl]-2,5-difluorobenzenesulfonamide
CID 177641815
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 155116654
4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
CID 170949579
N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949689
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949693
N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949699
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171055438
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055440
N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055506

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (CID 171664641) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(C(F)F)s2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is NBGYEIBYHXBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S2/c1-7-2-3-9(12-11(7)8(4-17)5-18-12)20-24(21,22)10-6-19-14(23-10)13(15)16/h2-3,5-6,13,18,20H,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 368.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171664641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).