3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide

C14H12ClNO4S — CID 28518831

IUPAC3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO4S/c1-21(19,20)11-5-3-10(4-6-11)16-14(18)9-2-7-13(17)12(15)8-9/h2-8,17H,1H3,(H,16,18)
InChIKeyMHBOKJQMNLNCJH-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.70
Rot. Bonds3

About 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide

3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 28518831) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide
PubChem CID28518831
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO4S/c1-21(19,20)11-5-3-10(4-6-11)16-14(18)9-2-7-13(17)12(15)8-9/h2-8,17H,1H3,(H,16,18)
InChIKeyMHBOKJQMNLNCJH-UHFFFAOYSA-N
XLogP2.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510
N-[4-(chloromethyl)phenyl]-4-methylsulfonylbenzamide
CID 114299897
N-(3-acetylphenyl)-3-chloro-4-hydroxybenzamide
CID 24710986
3-chloro-4-hydroxy-N-thiophen-3-ylbenzamide
CID 64988130
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide (CID 28518831) is 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is MHBOKJQMNLNCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-21(19,20)11-5-3-10(4-6-11)16-14(18)9-2-7-13(17)12(15)8-9/h2-8,17H,1H3,(H,16,18).
What are the key properties of 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide?
3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 325.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 28518831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).