2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide

C10H9N5O2S — CID 64898474

IUPAC2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)c(N)c1
InChIInChI=1S/C10H9N5O2S/c11-4-7-1-2-10(9(12)3-7)18(16,17)15-8-5-13-14-6-8/h1-3,5-6,15H,12H2,(H,13,14)
InChIKeyZOLNGZRWTYKEKU-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide

2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 64898474) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID64898474
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)c(N)c1
InChIInChI=1S/C10H9N5O2S/c11-4-7-1-2-10(9(12)3-7)18(16,17)15-8-5-13-14-6-8/h1-3,5-6,15H,12H2,(H,13,14)
InChIKeyZOLNGZRWTYKEKU-UHFFFAOYSA-N
XLogP0.66
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
2-amino-4-cyano-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596269
2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 64899112
2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 64899347
2-amino-4-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 64899567
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
2-amino-4-cyano-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64897423
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 64898474) is 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)c(N)c1.
What is the InChIKey of 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is ZOLNGZRWTYKEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-4-7-1-2-10(9(12)3-7)18(16,17)15-8-5-13-14-6-8/h1-3,5-6,15H,12H2,(H,13,14).
What are the key properties of 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 64898474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).