5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid

C14H10ClNO6S — CID 1076740

IUPAC5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C14H10ClNO6S/c15-12-5-4-10(7-11(12)14(19)20)23(21,22)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
InChIKeySFPBSEDGDUJCNI-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.54
Rot. Bonds5

About 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid

5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid (PubChem CID 1076740) has the molecular formula C14H10ClNO6S and a molecular weight of 355.76 g/mol. Its IUPAC name is 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid
PubChem CID1076740
Molecular FormulaC14H10ClNO6S
Molecular Weight355.76 g/mol
Exact Mass354.99
IUPAC Name5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C14H10ClNO6S/c15-12-5-4-10(7-11(12)14(19)20)23(21,22)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
InChIKeySFPBSEDGDUJCNI-UHFFFAOYSA-N
XLogP2.54
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid?
The IUPAC name of 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid (CID 1076740) is 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid?
The InChIKey is SFPBSEDGDUJCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO6S/c15-12-5-4-10(7-11(12)14(19)20)23(21,22)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid?
5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid has a molecular weight of 355.76 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid is sourced from PubChem (CID 1076740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).