4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C12H11ClN2O2S — CID 710402

IUPAC4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2S/c13-11-3-5-12(6-4-11)18(16,17)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyRQLXDFUYSXYHQP-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 710402) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID710402
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2S/c13-11-3-5-12(6-4-11)18(16,17)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyRQLXDFUYSXYHQP-UHFFFAOYSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 710402) is 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is RQLXDFUYSXYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-3-5-12(6-4-11)18(16,17)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2.
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 710402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).