5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid

C10H14ClN3O4S — CID 106341908

IUPAC5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C10H14ClN3O4S/c1-13-19(17,18)3-2-14-9-7(10(15)16)4-6(12)5-8(9)11/h4-5,13-14H,2-3,12H2,1H3,(H,15,16)
InChIKeyCZRAHPXPDLGETN-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.58
Rot. Bonds6

About 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid

5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid (PubChem CID 106341908) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
PubChem CID106341908
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Name5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C10H14ClN3O4S/c1-13-19(17,18)3-2-14-9-7(10(15)16)4-6(12)5-8(9)11/h4-5,13-14H,2-3,12H2,1H3,(H,15,16)
InChIKeyCZRAHPXPDLGETN-UHFFFAOYSA-N
XLogP0.58
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzoic acid
CID 107196157
5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid
CID 107195950
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-amino-3-chloro-2-(2-methylbutylamino)benzoic acid
CID 107195686
5-amino-3-chloro-2-(3-pyrazol-1-ylpropylamino)benzoic acid
CID 107196634
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610
5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
5-amino-3-chloro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 107195694

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid (CID 106341908) is 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid is CNS(=O)(=O)CCNc1c(Cl)cc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is CZRAHPXPDLGETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-13-19(17,18)3-2-14-9-7(10(15)16)4-6(12)5-8(9)11/h4-5,13-14H,2-3,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 307.76 g/mol, XLogP of 0.58, 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-(methylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 106341908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).