N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide

C14H10ClN3O2S — CID 114795856

IUPACN-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1cccc2ccccc12
InChIInChI=1S/C14H10ClN3O2S/c15-14-16-9-8-13(17-14)18-21(19,20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17,18)
InChIKeyJLXUYBTZCYMQCL-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.08
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide

N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide (PubChem CID 114795856) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
PubChem CID114795856
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1cccc2ccccc12
InChIInChI=1S/C14H10ClN3O2S/c15-14-16-9-8-13(17-14)18-21(19,20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17,18)
InChIKeyJLXUYBTZCYMQCL-UHFFFAOYSA-N
XLogP3.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloropyrimidin-4-yl)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-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 116798817
N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 67573141
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
CID 55065329
2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794709
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
N-phenylnaphthalene-1-sulfonamide
CID 3816137
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
CID 104821384
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide (CID 114795856) is N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ccnc(Cl)n1)c1cccc2ccccc12.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide?
The InChIKey is JLXUYBTZCYMQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-14-16-9-8-13(17-14)18-21(19,20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17,18).
What are the key properties of N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide?
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide has a molecular weight of 319.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).