2-chloro-3-sulfanylbenzamide

C7H6ClNOS — CID 118238415

IUPAC2-chloro-3-sulfanylbenzamide
SMILESNC(=O)c1cccc(S)c1Cl
InChIInChI=1S/C7H6ClNOS/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,11H,(H2,9,10)
InChIKeyCIHSYFDGCYCIKA-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.73
Rot. Bonds1

About 2-chloro-3-sulfanylbenzamide

2-chloro-3-sulfanylbenzamide (PubChem CID 118238415) has the molecular formula C7H6ClNOS and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-chloro-3-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-3-sulfanylbenzamide
PubChem CID118238415
Molecular FormulaC7H6ClNOS
Molecular Weight187.65 g/mol
Exact Mass186.99
IUPAC Name2-chloro-3-sulfanylbenzamide
SMILESNC(=O)c1cccc(S)c1Cl
InChIInChI=1S/C7H6ClNOS/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,11H,(H2,9,10)
InChIKeyCIHSYFDGCYCIKA-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-chloro-3-sulfanylbenzamide 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

2,3-dichlorobenzamide;hydron
CID 69226563
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
methyl 2-chloro-3-sulfanylbenzoate
CID 70148782
2-(3-carbamoyl-2-chlorophenyl)acetic acid
CID 71239300
2-nitro-3-sulfanylbenzamide
CID 151776475
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-chloro-3-pyrazol-1-ylbenzamide
CID 57422970
2-(2,6-dichlorophenyl)benzamide
CID 67032434
2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
2-hydroxy-3-sulfanylbenzoyl chloride
CID 141300950

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-sulfanylbenzamide?
The IUPAC name of 2-chloro-3-sulfanylbenzamide (CID 118238415) is 2-chloro-3-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-3-sulfanylbenzamide?
The canonical SMILES for 2-chloro-3-sulfanylbenzamide is NC(=O)c1cccc(S)c1Cl.
What is the InChIKey of 2-chloro-3-sulfanylbenzamide?
The InChIKey is CIHSYFDGCYCIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNOS/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,11H,(H2,9,10).
What are the key properties of 2-chloro-3-sulfanylbenzamide?
2-chloro-3-sulfanylbenzamide has a molecular weight of 187.65 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-sulfanylbenzamide is sourced from PubChem (CID 118238415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).