4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide

C16H14ClN3O2S — CID 10497881

IUPAC4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)c1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-11-15(17)16(12-5-3-2-4-6-12)20(19-11)13-7-9-14(10-8-13)23(18,21)22/h2-10H,1H3,(H2,18,21,22)
InChIKeyJAKUSVQKFVDBEC-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide

4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide (PubChem CID 10497881) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide
PubChem CID10497881
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)c1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-11-15(17)16(12-5-3-2-4-6-12)20(19-11)13-7-9-14(10-8-13)23(18,21)22/h2-10H,1H3,(H2,18,21,22)
InChIKeyJAKUSVQKFVDBEC-UHFFFAOYSA-N
XLogP3.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide (CID 10497881) is 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)c1Cl.
What is the InChIKey of 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is JAKUSVQKFVDBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-11-15(17)16(12-5-3-2-4-6-12)20(19-11)13-7-9-14(10-8-13)23(18,21)22/h2-10H,1H3,(H2,18,21,22).
What are the key properties of 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 10497881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).