3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide

C15H12ClN3O2S — CID 31913171

IUPAC3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2S/c16-12-3-1-4-15(11-12)22(20,21)18-13-5-7-14(8-6-13)19-10-2-9-17-19/h1-11,18H
InChIKeyVZKNDAJQAWLTHQ-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.33
Rot. Bonds4

About 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide

3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 31913171) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID31913171
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2S/c16-12-3-1-4-15(11-12)22(20,21)18-13-5-7-14(8-6-13)19-10-2-9-17-19/h1-11,18H
InChIKeyVZKNDAJQAWLTHQ-UHFFFAOYSA-N
XLogP3.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072896
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110731351
3-chloro-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
CID 110734813
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide (CID 31913171) is 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is VZKNDAJQAWLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-12-3-1-4-15(11-12)22(20,21)18-13-5-7-14(8-6-13)19-10-2-9-17-19/h1-11,18H.
What are the key properties of 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 31913171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).