4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide

C15H13ClN4O2S — CID 2742747

IUPAC4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNc1cc(-c2cccc(Cl)c2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-11-3-1-2-10(8-11)14-9-15(17)20(19-14)12-4-6-13(7-5-12)23(18,21)22/h1-9H,17H2,(H2,18,21,22)
InChIKeyYXKXROSNSIGZRG-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.42
Rot. Bonds3

About 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 2742747) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID2742747
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNc1cc(-c2cccc(Cl)c2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-11-3-1-2-10(8-11)14-9-15(17)20(19-14)12-4-6-13(7-5-12)23(18,21)22/h1-9H,17H2,(H2,18,21,22)
InChIKeyYXKXROSNSIGZRG-UHFFFAOYSA-N
XLogP2.42
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 2742747) is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is Nc1cc(-c2cccc(Cl)c2)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YXKXROSNSIGZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-11-3-1-2-10(8-11)14-9-15(17)20(19-14)12-4-6-13(7-5-12)23(18,21)22/h1-9H,17H2,(H2,18,21,22).
What are the key properties of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 2742747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).