N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide

C15H14ClNO4S — CID 145271067

IUPACN-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C15H14ClNO4S/c1-9-3-6-14(18)11(7-9)15(19)17-13-5-4-10(8-12(13)16)22(2,20)21/h3-8,18H,1-2H3,(H,17,19)
InChIKeyQUGCWZXADWUSEA-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.01
Rot. Bonds3

About N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide

N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide (PubChem CID 145271067) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
PubChem CID145271067
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC NameN-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C15H14ClNO4S/c1-9-3-6-14(18)11(7-9)15(19)17-13-5-4-10(8-12(13)16)22(2,20)21/h3-8,18H,1-2H3,(H,17,19)
InChIKeyQUGCWZXADWUSEA-UHFFFAOYSA-N
XLogP3.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381199
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849835
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide (CID 145271067) is N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is QUGCWZXADWUSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-9-3-6-14(18)11(7-9)15(19)17-13-5-4-10(8-12(13)16)22(2,20)21/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide?
N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 339.80 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 145271067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).