N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide

C15H12ClN3O2S — CID 20914764

IUPACN-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H12ClN3O2S/c16-12-3-1-4-13(11-12)18-22(20,21)15-7-5-14(6-8-15)19-10-2-9-17-19/h1-11,18H
InChIKeyRIXHFEIHPSHMQA-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.33
Rot. Bonds4

About N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914764) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914764
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H12ClN3O2S/c16-12-3-1-4-13(11-12)18-22(20,21)15-7-5-14(6-8-15)19-10-2-9-17-19/h1-11,18H
InChIKeyRIXHFEIHPSHMQA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914764) is N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is RIXHFEIHPSHMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-12-3-1-4-13(11-12)18-22(20,21)15-7-5-14(6-8-15)19-10-2-9-17-19/h1-11,18H.
What are the key properties of N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide 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 N-(3-chlorophenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).