N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide

C15H14ClNOS — CID 8574861

IUPACN-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H14ClNOS/c1-10-13(16)4-3-5-14(10)17-15(18)11-6-8-12(19-2)9-7-11/h3-9H,1-2H3,(H,17,18)
InChIKeyOFVPWAGDIZEQDE-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.62
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide

N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide (PubChem CID 8574861) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
PubChem CID8574861
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H14ClNOS/c1-10-13(16)4-3-5-14(10)17-15(18)11-6-8-12(19-2)9-7-11/h3-9H,1-2H3,(H,17,18)
InChIKeyOFVPWAGDIZEQDE-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(2-fluoroanilino)sulfanylbenzamide
CID 170977316
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
CID 73390326
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide (CID 8574861) is N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is OFVPWAGDIZEQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-10-13(16)4-3-5-14(10)17-15(18)11-6-8-12(19-2)9-7-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide?
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 291.80 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 8574861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).