(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid

C15H21ClN2O5S — CID 97315366

IUPAC(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
SMILESCCC[C@@](C)(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)O
InChIInChI=1S/C15H21ClN2O5S/c1-5-8-15(2,14(20)21)17-13(19)10-6-7-11(16)12(9-10)24(22,23)18(3)4/h6-7,9H,5,8H2,1-4H3,(H,17,19)(H,20,21)/t15-/m1/s1
InChIKeyUJOUEOIVWVYOJA-OAHLLOKOSA-N
MW376.86 g/mol
LogP1.96
Rot. Bonds7

About (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid

(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid (PubChem CID 97315366) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
PubChem CID97315366
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
SMILESCCC[C@@](C)(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)O
InChIInChI=1S/C15H21ClN2O5S/c1-5-8-15(2,14(20)21)17-13(19)10-6-7-11(16)12(9-10)24(22,23)18(3)4/h6-7,9H,5,8H2,1-4H3,(H,17,19)(H,20,21)/t15-/m1/s1
InChIKeyUJOUEOIVWVYOJA-OAHLLOKOSA-N
XLogP1.96
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid 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

N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 119192017
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylpentanoic acid
CID 43619133
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 43619029
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 55538385
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
4-chloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263286

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid (CID 97315366) is (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid is CCC[C@@](C)(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid?
The InChIKey is UJOUEOIVWVYOJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-5-8-15(2,14(20)21)17-13(19)10-6-7-11(16)12(9-10)24(22,23)18(3)4/h6-7,9H,5,8H2,1-4H3,(H,17,19)(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid?
(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid has a molecular weight of 376.86 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 97315366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).