8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide

C19H16ClN3O2S — CID 3397020

IUPAC8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
SMILESN#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C19H16ClN3O2S/c20-17-8-1-6-16-7-2-9-18(19(16)17)26(24,25)23(12-4-10-21)14-15-5-3-11-22-13-15/h1-3,5-9,11,13H,4,12,14H2
InChIKeyQOIOZGQBJMFREF-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.99
Rot. Bonds6

About 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide

8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 3397020) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
PubChem CID3397020
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
SMILESN#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C19H16ClN3O2S/c20-17-8-1-6-16-7-2-9-18(19(16)17)26(24,25)23(12-4-10-21)14-15-5-3-11-22-13-15/h1-3,5-9,11,13H,4,12,14H2
InChIKeyQOIOZGQBJMFREF-UHFFFAOYSA-N
XLogP3.99
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-N-(2-cyanoethyl)-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-cyanoethyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4825697
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47006481
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084985
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
CID 5178973
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475
3-[(2-chloropyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 62338506
2-chloro-N-(3-hydroxypropyl)-5-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 71913435
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
CID 65427998
2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085011
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide (CID 3397020) is 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide is N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is QOIOZGQBJMFREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-17-8-1-6-16-7-2-9-18(19(16)17)26(24,25)23(12-4-10-21)14-15-5-3-11-22-13-15/h1-3,5-9,11,13H,4,12,14H2.
What are the key properties of 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide?
8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 385.88 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3397020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).