N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide

C16H14FN5O3S — CID 155193273

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(C3COC3)c2F)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H14FN5O3S/c1-9-2-3-12(15-14(9)10(4-18)5-19-15)21-26(23,24)13-6-20-22(16(13)17)11-7-25-8-11/h2-3,5-6,11,19,21H,7-8H2,1H3
InChIKeyZINMGDYBTWYPFW-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.06
Rot. Bonds4

About N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide (PubChem CID 155193273) has the molecular formula C16H14FN5O3S and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide
PubChem CID155193273
Molecular FormulaC16H14FN5O3S
Molecular Weight375.39 g/mol
Exact Mass375.08
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(C3COC3)c2F)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H14FN5O3S/c1-9-2-3-12(15-14(9)10(4-18)5-19-15)21-26(23,24)13-6-20-22(16(13)17)11-7-25-8-11/h2-3,5-6,11,19,21H,7-8H2,1H3
InChIKeyZINMGDYBTWYPFW-UHFFFAOYSA-N
XLogP2.06
TPSA112.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(2-methoxyethylamino)benzenesulfonamide
CID 139366417
N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 155009404
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide
CID 155193238
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193241
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 155193256
N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 155193259
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
CID 155193276
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193278
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155193280
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(1-fluoro-3-hydroxypropan-2-yl)pyrazole-4-sulfonamide
CID 155193282
3-amino-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-ethylpyrazole-4-sulfonamide
CID 155193284
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155193301

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide (CID 155193273) is N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(C3COC3)c2F)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is ZINMGDYBTWYPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S/c1-9-2-3-12(15-14(9)10(4-18)5-19-15)21-26(23,24)13-6-20-22(16(13)17)11-7-25-8-11/h2-3,5-6,11,19,21H,7-8H2,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 375.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).