2-amino-5-chloro-4-sulfamoylbenzoic acid

C7H7ClN2O4S — CID 163729654

IUPAC2-amino-5-chloro-4-sulfamoylbenzoic acid
SMILESNc1cc(S(N)(=O)=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C7H7ClN2O4S/c8-4-1-3(7(11)12)5(9)2-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)
InChIKeyKYMYXNHLTLXRFO-UHFFFAOYSA-N
MW250.66 g/mol
LogP0.27
Rot. Bonds2

About 2-amino-5-chloro-4-sulfamoylbenzoic acid

2-amino-5-chloro-4-sulfamoylbenzoic acid (PubChem CID 163729654) has the molecular formula C7H7ClN2O4S and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-amino-5-chloro-4-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-chloro-4-sulfamoylbenzoic acid
PubChem CID163729654
Molecular FormulaC7H7ClN2O4S
Molecular Weight250.66 g/mol
Exact Mass249.98
IUPAC Name2-amino-5-chloro-4-sulfamoylbenzoic acid
SMILESNc1cc(S(N)(=O)=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C7H7ClN2O4S/c8-4-1-3(7(11)12)5(9)2-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)
InChIKeyKYMYXNHLTLXRFO-UHFFFAOYSA-N
XLogP0.27
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703
2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
CID 22376922
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
2,5-diamino-4-sulfobenzoic acid
CID 22399010
3-chloro-4-sulfamoylbenzoic acid
CID 47003139
5-amino-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 131462426
2,4-disulfamoylbenzoic acid
CID 70122290
CID 68522905
CID 68522905
2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
3-amino-4-chloro-2-sulfamoylbenzoic acid
CID 70516592
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116
4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
CID 13348413

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-sulfamoylbenzoic acid?
The IUPAC name of 2-amino-5-chloro-4-sulfamoylbenzoic acid (CID 163729654) is 2-amino-5-chloro-4-sulfamoylbenzoic acid.
What is the SMILES notation for 2-amino-5-chloro-4-sulfamoylbenzoic acid?
The canonical SMILES for 2-amino-5-chloro-4-sulfamoylbenzoic acid is Nc1cc(S(N)(=O)=O)c(Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-chloro-4-sulfamoylbenzoic acid?
The InChIKey is KYMYXNHLTLXRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O4S/c8-4-1-3(7(11)12)5(9)2-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14).
What are the key properties of 2-amino-5-chloro-4-sulfamoylbenzoic acid?
2-amino-5-chloro-4-sulfamoylbenzoic acid has a molecular weight of 250.66 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4-sulfamoylbenzoic acid is sourced from PubChem (CID 163729654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).