2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid

C20H14ClNO5S — CID 992293

IUPAC2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyCLAUJSRBKSRTGQ-UHFFFAOYSA-N
MW415.85 g/mol
LogP4.12
Rot. Bonds5

About 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid

2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid (PubChem CID 992293) has the molecular formula C20H14ClNO5S and a molecular weight of 415.85 g/mol. Its IUPAC name is 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid
PubChem CID992293
Molecular FormulaC20H14ClNO5S
Molecular Weight415.85 g/mol
Exact Mass415.03
IUPAC Name2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyCLAUJSRBKSRTGQ-UHFFFAOYSA-N
XLogP4.12
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid (CID 992293) is 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid?
The InChIKey is CLAUJSRBKSRTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid?
2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid has a molecular weight of 415.85 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid is sourced from PubChem (CID 992293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).