N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide

C15H14ClNO2S — CID 51191587

IUPACN-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(C)=O)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c1-10-3-8-14(13(16)9-10)17-15(18)11-4-6-12(7-5-11)20(2)19/h3-9H,1-2H3,(H,17,18)
InChIKeyGIPIWEIYPQCRTO-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.64
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide

N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide (PubChem CID 51191587) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide
PubChem CID51191587
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(C)=O)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c1-10-3-8-14(13(16)9-10)17-15(18)11-4-6-12(7-5-11)20(2)19/h3-9H,1-2H3,(H,17,18)
InChIKeyGIPIWEIYPQCRTO-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide (CID 51191587) is N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide is Cc1ccc(NC(=O)c2ccc(S(C)=O)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide?
The InChIKey is GIPIWEIYPQCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-10-3-8-14(13(16)9-10)17-15(18)11-4-6-12(7-5-11)20(2)19/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide?
N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide has a molecular weight of 307.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 51191587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).