3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide

C14H12ClNO2S — CID 23968766

IUPAC3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2S)cc1Cl
InChIInChI=1S/C14H12ClNO2S/c1-18-12-7-6-9(8-10(12)15)14(17)16-11-4-2-3-5-13(11)19/h2-8,19H,1H3,(H,16,17)
InChIKeyKTVSQINLGUBREQ-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.89
Rot. Bonds3

About 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide

3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide (PubChem CID 23968766) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
PubChem CID23968766
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2S)cc1Cl
InChIInChI=1S/C14H12ClNO2S/c1-18-12-7-6-9(8-10(12)15)14(17)16-11-4-2-3-5-13(11)19/h2-8,19H,1H3,(H,16,17)
InChIKeyKTVSQINLGUBREQ-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide (CID 23968766) is 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2S)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide?
The InChIKey is KTVSQINLGUBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-18-12-7-6-9(8-10(12)15)14(17)16-11-4-2-3-5-13(11)19/h2-8,19H,1H3,(H,16,17).
What are the key properties of 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide?
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide has a molecular weight of 293.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide is sourced from PubChem (CID 23968766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).