N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide

C13H13ClN2O2S — CID 830476

IUPACN-benzyl-6-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-16(10-11-5-3-2-4-6-11)19(17,18)12-7-8-13(14)15-9-12/h2-9H,10H2,1H3
InChIKeyRTLWQQTWVGWSPA-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.56
Rot. Bonds4

About N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide

N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide (PubChem CID 830476) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-methylpyridine-3-sulfonamide
PubChem CID830476
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-benzyl-6-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-16(10-11-5-3-2-4-6-11)19(17,18)12-7-8-13(14)15-9-12/h2-9H,10H2,1H3
InChIKeyRTLWQQTWVGWSPA-UHFFFAOYSA-N
XLogP2.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide (CID 830476) is N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide?
The InChIKey is RTLWQQTWVGWSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-16(10-11-5-3-2-4-6-11)19(17,18)12-7-8-13(14)15-9-12/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide?
N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 830476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).