N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide

C12H17NO4S — CID 83029859

IUPACN-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](C)O
InChIInChI=1S/C12H17NO4S/c1-8-4-5-10(18(3,16)17)6-11(8)12(15)13-7-9(2)14/h4-6,9,14H,7H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyVJPNYFCPPVOXAJ-VIFPVBQESA-N
MW271.34 g/mol
LogP0.51
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide

N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 83029859) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID83029859
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](C)O
InChIInChI=1S/C12H17NO4S/c1-8-4-5-10(18(3,16)17)6-11(8)12(15)13-7-9(2)14/h4-6,9,14H,7H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyVJPNYFCPPVOXAJ-VIFPVBQESA-N
XLogP0.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-hydroxypropyl]-2-methyl-5-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

2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]butanoic acid
CID 65217875
(2S)-2-hydroxy-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid
CID 107834458
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 115770731
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 78768992
6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide (CID 83029859) is N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is VJPNYFCPPVOXAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8-4-5-10(18(3,16)17)6-11(8)12(15)13-7-9(2)14/h4-6,9,14H,7H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide?
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 83029859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).