4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide

C16H13ClN2O2S — CID 671595

IUPAC4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H13ClN2O2S/c17-15-7-8-16(14-6-2-1-5-13(14)15)22(20,21)19-11-12-4-3-9-18-10-12/h1-10,19H,11H2
InChIKeyYXUIXSZTAJEJQD-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide

4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 671595) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
PubChem CID671595
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H13ClN2O2S/c17-15-7-8-16(14-6-2-1-5-13(14)15)22(20,21)19-11-12-4-3-9-18-10-12/h1-10,19H,11H2
InChIKeyYXUIXSZTAJEJQD-UHFFFAOYSA-N
XLogP3.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-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

N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
CID 129236
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 1236939
N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
CID 767333
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 2726776
N-[[2-chloro-4-(2-fluorophenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 73353938
4-chloro-N-(2-pyridinyl)-1-naphthalenesulfonamide
CID 881482
N-(3-chloro-4-pyridinyl)naphthalene-2-sulfonamide
CID 2448376
5-(dimethylamino)-N-(2-chloro-5-pyridyl)-1-naphthalenesulphonamide
CID 11792960
4-chloro-N-isoquinolin-5-ylbenzenesulfonamide
CID 35538938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide (CID 671595) is 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide is O=S(=O)(NCc1cccnc1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is YXUIXSZTAJEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-15-7-8-16(14-6-2-1-5-13(14)15)22(20,21)19-11-12-4-3-9-18-10-12/h1-10,19H,11H2.
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
4-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 332.81 g/mol, XLogP of 3.37, 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)naphthalene-1-sulfonamide is sourced from PubChem (CID 671595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).