4-chloro-N-(2-methylsulfanylphenyl)benzamide

C14H12ClNOS — CID 2091832

IUPAC4-chloro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNOS/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,16,17)
InChIKeyQJBCRNCOIDJLFD-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.31
Rot. Bonds3

About 4-chloro-N-(2-methylsulfanylphenyl)benzamide

4-chloro-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 2091832) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-chloro-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylsulfanylphenyl)benzamide
PubChem CID2091832
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name4-chloro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNOS/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,16,17)
InChIKeyQJBCRNCOIDJLFD-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 31964988
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-methylsulfanylphenyl)benzamide (CID 2091832) is 4-chloro-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is QJBCRNCOIDJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(2-methylsulfanylphenyl)benzamide?
4-chloro-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 277.78 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 2091832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).