4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide

C16H16N4O2S — CID 22315384

IUPAC4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESCNc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C16H16N4O2S/c1-18-16-11-15(12-5-3-2-4-6-12)20(19-16)13-7-9-14(10-8-13)23(17,21)22/h2-11H,1H3,(H,18,19)(H2,17,21,22)
InChIKeyFEVIGKFERVPDQF-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.23
Rot. Bonds4

About 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide

4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 22315384) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID22315384
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESCNc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C16H16N4O2S/c1-18-16-11-15(12-5-3-2-4-6-12)20(19-16)13-7-9-14(10-8-13)23(17,21)22/h2-11H,1H3,(H,18,19)(H2,17,21,22)
InChIKeyFEVIGKFERVPDQF-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
N-methyl-2-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanamide
CID 67663105
1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
CID 22315588
N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanamide
CID 67663106
2-[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
CID 69435721
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
CID 52951388
1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]ethyl 2-cyanoprop-2-enoate
CID 140973763
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
4-[5-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315609
4-[5-[3-fluoro-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315604
4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
CID 10668272
4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 54612981

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 22315384) is 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide is CNc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is FEVIGKFERVPDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-18-16-11-15(12-5-3-2-4-6-12)20(19-16)13-7-9-14(10-8-13)23(17,21)22/h2-11H,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide?
4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).