4-(chlorosulfonylamino)-2-hydroxybenzoic acid

C7H6ClNO5S — CID 175169108

IUPAC4-(chlorosulfonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H6ClNO5S/c8-15(13,14)9-4-1-2-5(7(11)12)6(10)3-4/h1-3,9-10H,(H,11,12)
InChIKeyPLGVMZSGELJOLP-UHFFFAOYSA-N
MW251.65 g/mol
LogP0.99
Rot. Bonds3

About 4-(chlorosulfonylamino)-2-hydroxybenzoic acid

4-(chlorosulfonylamino)-2-hydroxybenzoic acid (PubChem CID 175169108) has the molecular formula C7H6ClNO5S and a molecular weight of 251.65 g/mol. Its IUPAC name is 4-(chlorosulfonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(chlorosulfonylamino)-2-hydroxybenzoic acid
PubChem CID175169108
Molecular FormulaC7H6ClNO5S
Molecular Weight251.65 g/mol
Exact Mass250.97
IUPAC Name4-(chlorosulfonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H6ClNO5S/c8-15(13,14)9-4-1-2-5(7(11)12)6(10)3-4/h1-3,9-10H,(H,11,12)
InChIKeyPLGVMZSGELJOLP-UHFFFAOYSA-N
XLogP0.99
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 43361376
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
4-(3-chloropropylamino)-2-hydroxybenzoic acid
CID 71775574
4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
CID 68720617
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
CID 45330184
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
2-fluoro-4-(sulfamoylamino)benzoic acid
CID 107793195

Frequently Asked Questions

What is the IUPAC name of 4-(chlorosulfonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(chlorosulfonylamino)-2-hydroxybenzoic acid (CID 175169108) is 4-(chlorosulfonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(chlorosulfonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(chlorosulfonylamino)-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)Cl)cc1O.
What is the InChIKey of 4-(chlorosulfonylamino)-2-hydroxybenzoic acid?
The InChIKey is PLGVMZSGELJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO5S/c8-15(13,14)9-4-1-2-5(7(11)12)6(10)3-4/h1-3,9-10H,(H,11,12).
What are the key properties of 4-(chlorosulfonylamino)-2-hydroxybenzoic acid?
4-(chlorosulfonylamino)-2-hydroxybenzoic acid has a molecular weight of 251.65 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chlorosulfonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 175169108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).