5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid

C14H10ClNO7S — CID 992605

IUPAC5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H10ClNO7S/c15-11-3-2-8(6-9(11)13(18)19)24(22,23)16-7-1-4-12(17)10(5-7)14(20)21/h1-6,16-17H,(H,18,19)(H,20,21)
InChIKeyNVJQJPNTFUDJBM-UHFFFAOYSA-N
MW371.75 g/mol
LogP2.24
Rot. Bonds5

About 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid

5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 992605) has the molecular formula C14H10ClNO7S and a molecular weight of 371.75 g/mol. Its IUPAC name is 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID992605
Molecular FormulaC14H10ClNO7S
Molecular Weight371.75 g/mol
Exact Mass370.99
IUPAC Name5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H10ClNO7S/c15-11-3-2-8(6-9(11)13(18)19)24(22,23)16-7-1-4-12(17)10(5-7)14(20)21/h1-6,16-17H,(H,18,19)(H,20,21)
InChIKeyNVJQJPNTFUDJBM-UHFFFAOYSA-N
XLogP2.24
TPSA141.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 992605) is 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)ccc1O.
What is the InChIKey of 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is NVJQJPNTFUDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO7S/c15-11-3-2-8(6-9(11)13(18)19)24(22,23)16-7-1-4-12(17)10(5-7)14(20)21/h1-6,16-17H,(H,18,19)(H,20,21).
What are the key properties of 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 371.75 g/mol, XLogP of 2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carboxy-4-chlorophenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 992605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).