4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide

C14H11ClN4O2S — CID 90285421

IUPAC4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4O2S/c15-11-4-6-12(7-5-11)22(20,21)18-14-8-10-17-19(14)13-3-1-2-9-16-13/h1-10,18H
InChIKeyJRZHXPWLIFIBOK-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide

4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 90285421) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID90285421
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4O2S/c15-11-4-6-12(7-5-11)22(20,21)18-14-8-10-17-19(14)13-3-1-2-9-16-13/h1-10,18H
InChIKeyJRZHXPWLIFIBOK-UHFFFAOYSA-N
XLogP2.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide (CID 90285421) is 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is JRZHXPWLIFIBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-11-4-6-12(7-5-11)22(20,21)18-14-8-10-17-19(14)13-3-1-2-9-16-13/h1-10,18H.
What are the key properties of 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide?
4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 334.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 90285421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).