4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide

C11H14ClNO4S — CID 83059203

IUPAC4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
SMILESC[C@H](O)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H14ClNO4S/c1-7(14)6-13-11(15)8-3-4-9(12)10(5-8)18(2,16)17/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyIIANCVXDCJPYLQ-ZETCQYMHSA-N
MW291.76 g/mol
LogP0.85
Rot. Bonds4

About 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide

4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide (PubChem CID 83059203) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
PubChem CID83059203
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
SMILESC[C@H](O)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H14ClNO4S/c1-7(14)6-13-11(15)8-3-4-9(12)10(5-8)18(2,16)17/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyIIANCVXDCJPYLQ-ZETCQYMHSA-N
XLogP0.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]propanoate
CID 60638166
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-4-methylpentanoate
CID 4825679
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid
CID 64670702

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide (CID 83059203) is 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide is C[C@H](O)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide?
The InChIKey is IIANCVXDCJPYLQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7(14)6-13-11(15)8-3-4-9(12)10(5-8)18(2,16)17/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide?
4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide has a molecular weight of 291.76 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 83059203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).