3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide

C16H16N4O2S — CID 163438596

IUPAC3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(N)c2-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O2S/c1-11-10-15(19-18-11)20-23(21,22)14-9-5-8-13(17)16(14)12-6-3-2-4-7-12/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyAWPWJXHLTSLGNR-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide

3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide (PubChem CID 163438596) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide
PubChem CID163438596
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(N)c2-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O2S/c1-11-10-15(19-18-11)20-23(21,22)14-9-5-8-13(17)16(14)12-6-3-2-4-7-12/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyAWPWJXHLTSLGNR-UHFFFAOYSA-N
XLogP2.77
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CID 24963047
4-(3-amino-7-methyl-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CID 44570477
N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
CID 118721257
N-(4-(3-amino-1H-indazol-4-yl)phenyl)benzenesulfonamide
CID 16125110
3-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CID 44570435
N-[4-(3-amino-1H-indazol-5-yl)phenyl]propane-1-sulfonamide
CID 49830437
N-[4-(3-amino-1H-indazol-5-yl)phenyl]ethanesulfonamide
CID 49830445
2-[4-(3-amino-1H-indazol-5-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
CID 90314517
N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 3778663
N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 20947404
3-(4-Tert-butylphenyl)-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-5-amine
CID 20867090
N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2818973

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide (CID 163438596) is 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(N)c2-c2ccccc2)n[nH]1.
What is the InChIKey of 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide?
The InChIKey is AWPWJXHLTSLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-10-15(19-18-11)20-23(21,22)14-9-5-8-13(17)16(14)12-6-3-2-4-7-12/h2-10H,17H2,1H3,(H2,18,19,20).
What are the key properties of 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide?
3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 163438596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).