2-chloro-5-(sulfoamino)benzoic acid

C7H6ClNO5S — CID 169095231

IUPAC2-chloro-5-(sulfoamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)O)ccc1Cl
InChIInChI=1S/C7H6ClNO5S/c8-6-2-1-4(9-15(12,13)14)3-5(6)7(10)11/h1-3,9H,(H,10,11)(H,12,13,14)
InChIKeyGSYJKQODKGTIKW-UHFFFAOYSA-N
MW251.65 g/mol
LogP1.25
Rot. Bonds3

About 2-chloro-5-(sulfoamino)benzoic acid

2-chloro-5-(sulfoamino)benzoic acid (PubChem CID 169095231) has the molecular formula C7H6ClNO5S and a molecular weight of 251.65 g/mol. Its IUPAC name is 2-chloro-5-(sulfoamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(sulfoamino)benzoic acid
PubChem CID169095231
Molecular FormulaC7H6ClNO5S
Molecular Weight251.65 g/mol
Exact Mass250.97
IUPAC Name2-chloro-5-(sulfoamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)O)ccc1Cl
InChIInChI=1S/C7H6ClNO5S/c8-6-2-1-4(9-15(12,13)14)3-5(6)7(10)11/h1-3,9H,(H,10,11)(H,12,13,14)
InChIKeyGSYJKQODKGTIKW-UHFFFAOYSA-N
XLogP1.25
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
2-chloro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79673875
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066
2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
CID 136537758
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
2-chloro-5-(4-sulfamoylanilino)benzoic acid
CID 60860550
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
2-chloro-5-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 166221992
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(sulfoamino)benzoic acid?
The IUPAC name of 2-chloro-5-(sulfoamino)benzoic acid (CID 169095231) is 2-chloro-5-(sulfoamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(sulfoamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(sulfoamino)benzoic acid is O=C(O)c1cc(NS(=O)(=O)O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(sulfoamino)benzoic acid?
The InChIKey is GSYJKQODKGTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO5S/c8-6-2-1-4(9-15(12,13)14)3-5(6)7(10)11/h1-3,9H,(H,10,11)(H,12,13,14).
What are the key properties of 2-chloro-5-(sulfoamino)benzoic acid?
2-chloro-5-(sulfoamino)benzoic acid has a molecular weight of 251.65 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(sulfoamino)benzoic acid is sourced from PubChem (CID 169095231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).