5-amino-2-(sulfamoylamino)benzoic acid

C7H9N3O4S — CID 114958710

IUPAC5-amino-2-(sulfamoylamino)benzoic acid
SMILESNc1ccc(NS(N)(=O)=O)c(C(=O)O)c1
InChIInChI=1S/C7H9N3O4S/c8-4-1-2-6(10-15(9,13)14)5(3-4)7(11)12/h1-3,10H,8H2,(H,11,12)(H2,9,13,14)
InChIKeyZUPQOLROSKEUEC-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.42
Rot. Bonds3

About 5-amino-2-(sulfamoylamino)benzoic acid

5-amino-2-(sulfamoylamino)benzoic acid (PubChem CID 114958710) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-amino-2-(sulfamoylamino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(sulfamoylamino)benzoic acid
PubChem CID114958710
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name5-amino-2-(sulfamoylamino)benzoic acid
SMILESNc1ccc(NS(N)(=O)=O)c(C(=O)O)c1
InChIInChI=1S/C7H9N3O4S/c8-4-1-2-6(10-15(9,13)14)5(3-4)7(11)12/h1-3,10H,8H2,(H,11,12)(H2,9,13,14)
InChIKeyZUPQOLROSKEUEC-UHFFFAOYSA-N
XLogP-0.42
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(methylamino)benzoic acid
CID 19006283
5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid
CID 43604385
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
4-fluoro-2-(sulfamoylamino)benzoic acid
CID 24710459
5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-(difluoromethylsulfonylamino)benzoic acid
CID 63116164
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(sulfamoylamino)benzoic acid?
The IUPAC name of 5-amino-2-(sulfamoylamino)benzoic acid (CID 114958710) is 5-amino-2-(sulfamoylamino)benzoic acid.
What is the SMILES notation for 5-amino-2-(sulfamoylamino)benzoic acid?
The canonical SMILES for 5-amino-2-(sulfamoylamino)benzoic acid is Nc1ccc(NS(N)(=O)=O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(sulfamoylamino)benzoic acid?
The InChIKey is ZUPQOLROSKEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c8-4-1-2-6(10-15(9,13)14)5(3-4)7(11)12/h1-3,10H,8H2,(H,11,12)(H2,9,13,14).
What are the key properties of 5-amino-2-(sulfamoylamino)benzoic acid?
5-amino-2-(sulfamoylamino)benzoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(sulfamoylamino)benzoic acid is sourced from PubChem (CID 114958710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).