N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide

C18H14N4O3S — CID 134120126

IUPACN-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1nn(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1C#N
InChIInChI=1S/C18H14N4O3S/c1-13(23)17-16(12-19)18(22(20-17)14-8-4-2-5-9-14)21-26(24,25)15-10-6-3-7-11-15/h2-11,21H,1H3
InChIKeySAWAYJBSFXJUCD-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.75
Rot. Bonds5

About N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide

N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 134120126) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID134120126
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1nn(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1C#N
InChIInChI=1S/C18H14N4O3S/c1-13(23)17-16(12-19)18(22(20-17)14-8-4-2-5-9-14)21-26(24,25)15-10-6-3-7-11-15/h2-11,21H,1H3
InChIKeySAWAYJBSFXJUCD-UHFFFAOYSA-N
XLogP2.75
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-4-chlorobenzenesulfonamide
CID 146094814
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
N-(5-cyano-4-methyl-2-phenylpyrazol-3-yl)-2-propan-2-ylsulfonylacetamide
CID 126833222
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide
CID 2335503
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
3-bromo-4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 139010719
4-[(Z)-2-(2-chlorophenyl)ethenyl]-5-cyano-6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 126202121
6-ethylsulfonyl-5-methyl-3-oxo-2-phenylpyridazine-4-carbonitrile
CID 22112754
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30177201
[2,6-di(propan-2-yl)phenyl] 2-[5-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-cyano-1-phenylpyrazol-3-yl]acetate
CID 139822646

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide (CID 134120126) is N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide is CC(=O)c1nn(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is SAWAYJBSFXJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-13(23)17-16(12-19)18(22(20-17)14-8-4-2-5-9-14)21-26(24,25)15-10-6-3-7-11-15/h2-11,21H,1H3.
What are the key properties of N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide?
N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 366.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-cyano-1-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 134120126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).