N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide

C15H14FN5O2S — CID 155193276

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CCF)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H14FN5O2S/c1-10-2-3-13(15-14(10)11(6-17)7-18-15)20-24(22,23)12-8-19-21(9-12)5-4-16/h2-3,7-9,18,20H,4-5H2,1H3
InChIKeyCPBVYQAUOUMHGS-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.31
Rot. Bonds5

About N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide (PubChem CID 155193276) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
PubChem CID155193276
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CCF)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H14FN5O2S/c1-10-2-3-13(15-14(10)11(6-17)7-18-15)20-24(22,23)12-8-19-21(9-12)5-4-16/h2-3,7-9,18,20H,4-5H2,1H3
InChIKeyCPBVYQAUOUMHGS-UHFFFAOYSA-N
XLogP2.31
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

E 7820
CID 196970
N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975
4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
CID 126455840
N-(3-cyano-1H-indol-7-yl)pyridine-3-sulfonamide
CID 44306638
3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide
CID 139366201
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176710968
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
4-amino-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
CID 10852578
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 155116654
N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968670

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide (CID 155193276) is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(CCF)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is CPBVYQAUOUMHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-10-2-3-13(15-14(10)11(6-17)7-18-15)20-24(22,23)12-8-19-21(9-12)5-4-16/h2-3,7-9,18,20H,4-5H2,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 347.38 g/mol, XLogP of 2.31, 5 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)-1-(2-fluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).