2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide

C15H14ClNO2S — CID 847891

IUPAC2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-19-11-5-3-10(4-6-11)17-15(18)13-9-12(20-2)7-8-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKeyCOEWQBRICAYYHY-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide

2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide (PubChem CID 847891) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide
PubChem CID847891
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-19-11-5-3-10(4-6-11)17-15(18)13-9-12(20-2)7-8-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKeyCOEWQBRICAYYHY-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-cyano-4-[(4-methoxyphenyl)thio]phenyl]benzamide
CID 2769229
2-Chloro-N-(4-ethoxyphenyl)-5-(methylthio)benzamide
CID 603984
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
4-Chloro-4'-ethoxybenzanilide
CID 587141
2-Chloro-M-benzanisidide
CID 687085
N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
N-(4-methoxyphenyl)-2-(methylthio)benzamide
CID 961858
3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 836483
2-chloro-5-[(1,1-dioxidothiomorpholin-4-yl)sulfonyl]-N-(4-methoxyphenyl)benzamide
CID 1217079
[2-(2,4-Dimethoxyanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 5028075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide (CID 847891) is 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide is COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide?
The InChIKey is COEWQBRICAYYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-19-11-5-3-10(4-6-11)17-15(18)13-9-12(20-2)7-8-14(13)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide?
2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide has a molecular weight of 307.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).