N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide

C12H9ClN2O4S — CID 135071198

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccccn1
InChIInChI=1S/C12H9ClN2O4S/c13-8-5-10-11(19-7-18-10)6-9(8)15-20(16,17)12-3-1-2-4-14-12/h1-6,15H,7H2
InChIKeyNEKMDNAAYDNGTH-UHFFFAOYSA-N
MW312.73 g/mol
LogP2.26
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide

N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide (PubChem CID 135071198) has the molecular formula C12H9ClN2O4S and a molecular weight of 312.73 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
PubChem CID135071198
Molecular FormulaC12H9ClN2O4S
Molecular Weight312.73 g/mol
Exact Mass312.00
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccccn1
InChIInChI=1S/C12H9ClN2O4S/c13-8-5-10-11(19-7-18-10)6-9(8)15-20(16,17)12-3-1-2-4-14-12/h1-6,15H,7H2
InChIKeyNEKMDNAAYDNGTH-UHFFFAOYSA-N
XLogP2.26
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide (CID 135071198) is N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccccn1.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
The InChIKey is NEKMDNAAYDNGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4S/c13-8-5-10-11(19-7-18-10)6-9(8)15-20(16,17)12-3-1-2-4-14-12/h1-6,15H,7H2.
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide?
N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide has a molecular weight of 312.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 135071198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).