5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid

C12H18ClN3O4S — CID 107195950

IUPAC5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid
SMILESCC(C)(CNc1c(Cl)cc(N)cc1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C12H18ClN3O4S/c1-12(2,16-21(3,19)20)6-15-10-8(11(17)18)4-7(14)5-9(10)13/h4-5,15-16H,6,14H2,1-3H3,(H,17,18)
InChIKeyFBWVWJCISJLIRG-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.36
Rot. Bonds6

About 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid

5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid (PubChem CID 107195950) has the molecular formula C12H18ClN3O4S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid
PubChem CID107195950
Molecular FormulaC12H18ClN3O4S
Molecular Weight335.81 g/mol
Exact Mass335.07
IUPAC Name5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid
SMILESCC(C)(CNc1c(Cl)cc(N)cc1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C12H18ClN3O4S/c1-12(2,16-21(3,19)20)6-15-10-8(11(17)18)4-7(14)5-9(10)13/h4-5,15-16H,6,14H2,1-3H3,(H,17,18)
InChIKeyFBWVWJCISJLIRG-UHFFFAOYSA-N
XLogP1.36
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic 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

5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106341908
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
CID 114919669
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzoic acid
CID 107192488
5-amino-3-chloro-2-[2-[di(propan-2-yl)amino]ethylamino]benzoic acid
CID 107192613
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzoic acid
CID 107196157
5-amino-3-chloro-2-(2-methylbutylamino)benzoic acid
CID 107195686
6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
CID 63859490
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 112647819
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(1-methoxybutan-2-ylamino)benzoic acid
CID 107196039

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid (CID 107195950) is 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid is CC(C)(CNc1c(Cl)cc(N)cc1C(=O)O)NS(C)(=O)=O.
What is the InChIKey of 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid?
The InChIKey is FBWVWJCISJLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O4S/c1-12(2,16-21(3,19)20)6-15-10-8(11(17)18)4-7(14)5-9(10)13/h4-5,15-16H,6,14H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid?
5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid has a molecular weight of 335.81 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid is sourced from PubChem (CID 107195950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).