4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide

C16H14ClN3O2S — CID 110732614

IUPAC4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]1
InChIInChI=1S/C16H14ClN3O2S/c1-11-10-16(19-18-11)12-2-6-14(7-3-12)20-23(21,22)15-8-4-13(17)5-9-15/h2-10,20H,1H3,(H,18,19)
InChIKeyXSDRALGICKSCKU-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide

4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 110732614) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
PubChem CID110732614
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]1
InChIInChI=1S/C16H14ClN3O2S/c1-11-10-16(19-18-11)12-2-6-14(7-3-12)20-23(21,22)15-8-4-13(17)5-9-15/h2-10,20H,1H3,(H,18,19)
InChIKeyXSDRALGICKSCKU-UHFFFAOYSA-N
XLogP3.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
CID 110732607
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide (CID 110732614) is 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide is Cc1cc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]1.
What is the InChIKey of 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is XSDRALGICKSCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-11-10-16(19-18-11)12-2-6-14(7-3-12)20-23(21,22)15-8-4-13(17)5-9-15/h2-10,20H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110732614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).