2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid

C14H20ClN3O4S — CID 21430471

IUPAC2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid
SMILESCN1CCN(c2cc(Cl)c(C(=O)O)cc2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H20ClN3O4S/c1-16(2)23(21,22)13-8-10(14(19)20)11(15)9-12(13)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyOIGYSIHDWYGMLL-UHFFFAOYSA-N
MW361.85 g/mol
LogP1.04
Rot. Bonds4

About 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid

2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid (PubChem CID 21430471) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid
PubChem CID21430471
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid
SMILESCN1CCN(c2cc(Cl)c(C(=O)O)cc2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H20ClN3O4S/c1-16(2)23(21,22)13-8-10(14(19)20)11(15)9-12(13)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyOIGYSIHDWYGMLL-UHFFFAOYSA-N
XLogP1.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)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

2-chloro-4-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 68677744
4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 4218611
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 4166566
butyl 3-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoate
CID 21430459
2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 977911
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
2,5-dichloro-3-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 43514463
2-chloro-5-(dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
CID 166635067
2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
CID 53228824
2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid (CID 21430471) is 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid is CN1CCN(c2cc(Cl)c(C(=O)O)cc2S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid?
The InChIKey is OIGYSIHDWYGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-16(2)23(21,22)13-8-10(14(19)20)11(15)9-12(13)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid?
2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid has a molecular weight of 361.85 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid is sourced from PubChem (CID 21430471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).