2-(2-aminoethylsulfamoylamino)benzoic acid

C9H13N3O4S — CID 84761008

IUPAC2-(2-aminoethylsulfamoylamino)benzoic acid
SMILESNCCNS(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C9H13N3O4S/c10-5-6-11-17(15,16)12-8-4-2-1-3-7(8)9(13)14/h1-4,11-12H,5-6,10H2,(H,13,14)
InChIKeyJKPTYXSOXBABCO-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.41
Rot. Bonds6

About 2-(2-aminoethylsulfamoylamino)benzoic acid

2-(2-aminoethylsulfamoylamino)benzoic acid (PubChem CID 84761008) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(2-aminoethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-(2-aminoethylsulfamoylamino)benzoic acid
PubChem CID84761008
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-(2-aminoethylsulfamoylamino)benzoic acid
SMILESNCCNS(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C9H13N3O4S/c10-5-6-11-17(15,16)12-8-4-2-1-3-7(8)9(13)14/h1-4,11-12H,5-6,10H2,(H,13,14)
InChIKeyJKPTYXSOXBABCO-UHFFFAOYSA-N
XLogP-0.41
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2-ethylphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760891
2-(2-sulfamoylethylamino)benzoic acid
CID 62231211
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
2-(butan-2-ylsulfonylamino)benzoic acid
CID 70482313
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
4-bromo-2-(propylsulfamoylamino)benzoic acid
CID 114805702
N-(2-aminoethyl)-2-(difluoromethylsulfonylamino)benzamide
CID 107000097
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[4-(2-aminoethylsulfamoylamino)phenyl]acetamide
CID 84761036
2-(2-methylsulfonylethylamino)benzoic acid
CID 62230522
2-hydrazinylbenzoic acid;hydron;chloride
CID 51064113
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfamoylamino)benzoic acid?
The IUPAC name of 2-(2-aminoethylsulfamoylamino)benzoic acid (CID 84761008) is 2-(2-aminoethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 2-(2-aminoethylsulfamoylamino)benzoic acid?
The canonical SMILES for 2-(2-aminoethylsulfamoylamino)benzoic acid is NCCNS(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-aminoethylsulfamoylamino)benzoic acid?
The InChIKey is JKPTYXSOXBABCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-5-6-11-17(15,16)12-8-4-2-1-3-7(8)9(13)14/h1-4,11-12H,5-6,10H2,(H,13,14).
What are the key properties of 2-(2-aminoethylsulfamoylamino)benzoic acid?
2-(2-aminoethylsulfamoylamino)benzoic acid has a molecular weight of 259.29 g/mol, XLogP of -0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 84761008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).