4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

C16H16N4O2S — CID 13326

IUPAC4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O2S/c1-12-11-16(20(18-12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h2-11,19H,17H2,1H3
InChIKeyMTERSQYMYBGZTP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.56
Rot. Bonds4

About 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 13326) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID13326
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O2S/c1-12-11-16(20(18-12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h2-11,19H,17H2,1H3
InChIKeyMTERSQYMYBGZTP-UHFFFAOYSA-N
XLogP2.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfaphenazole
CID 5335
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 2104462
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 10111849
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-nitro-benzenesulfonamide
CID 12018679
4-Amino-N-[4-(5-amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 12018680
N4-Acetylsulfaphenazole
CID 3083651
3-methyl-1-{4-[4-(propan-2-yl)benzenesulfonyl]phenyl}-1H-pyrazol-5-amine
CID 2411018
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 972247
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide
CID 1120173
5-Methyl-4-(4-nitrophenyl)sulfanyl-2-phenylpyrazol-3-amine
CID 2317975

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (CID 13326) is 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is MTERSQYMYBGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-12-11-16(20(18-12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h2-11,19H,17H2,1H3.
What are the key properties of 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 13326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).