2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide

C15H14ClNO3S — CID 107020390

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
SMILESCOc1cc(NC(=O)c2cc(S)ccc2Cl)cc(OC)c1
InChIInChI=1S/C15H14ClNO3S/c1-19-10-5-9(6-11(7-10)20-2)17-15(18)13-8-12(21)3-4-14(13)16/h3-8,21H,1-2H3,(H,17,18)
InChIKeyWWULJZYWMCNVRL-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide

2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide (PubChem CID 107020390) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
PubChem CID107020390
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
SMILESCOc1cc(NC(=O)c2cc(S)ccc2Cl)cc(OC)c1
InChIInChI=1S/C15H14ClNO3S/c1-19-10-5-9(6-11(7-10)20-2)17-15(18)13-8-12(21)3-4-14(13)16/h3-8,21H,1-2H3,(H,17,18)
InChIKeyWWULJZYWMCNVRL-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
CID 107370953
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
CID 107019316
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
CID 107587050
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107019946
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide (CID 107020390) is 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide is COc1cc(NC(=O)c2cc(S)ccc2Cl)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?
The InChIKey is WWULJZYWMCNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-19-10-5-9(6-11(7-10)20-2)17-15(18)13-8-12(21)3-4-14(13)16/h3-8,21H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide has a molecular weight of 323.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107020390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).