N,N-dibenzyl-6-chloropyridine-3-sulfonamide

C19H17ClN2O2S — CID 2433225

IUPACN,N-dibenzyl-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)nc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c20-19-12-11-18(13-21-19)25(23,24)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeySYFRVJLBPHIPGZ-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.13
Rot. Bonds6

About N,N-dibenzyl-6-chloropyridine-3-sulfonamide

N,N-dibenzyl-6-chloropyridine-3-sulfonamide (PubChem CID 2433225) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N,N-dibenzyl-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-6-chloropyridine-3-sulfonamide
PubChem CID2433225
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN,N-dibenzyl-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)nc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c20-19-12-11-18(13-21-19)25(23,24)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeySYFRVJLBPHIPGZ-UHFFFAOYSA-N
XLogP4.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dibenzyl-6-chloropyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide
CID 5268457
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
sodium N,N-dibenzylsulfamate
CID 141380855
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391306
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-chloropyridine-3-sulfonamide?
The IUPAC name of N,N-dibenzyl-6-chloropyridine-3-sulfonamide (CID 2433225) is N,N-dibenzyl-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-6-chloropyridine-3-sulfonamide?
The canonical SMILES for N,N-dibenzyl-6-chloropyridine-3-sulfonamide is O=S(=O)(c1ccc(Cl)nc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-6-chloropyridine-3-sulfonamide?
The InChIKey is SYFRVJLBPHIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-19-12-11-18(13-21-19)25(23,24)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2.
What are the key properties of N,N-dibenzyl-6-chloropyridine-3-sulfonamide?
N,N-dibenzyl-6-chloropyridine-3-sulfonamide has a molecular weight of 372.88 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 2433225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).