3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid

C13H8Cl3NO4S — CID 75414770

IUPAC3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3NO4S/c14-8-5-10(15)12(11(16)6-8)22(20,21)17-9-3-1-2-7(4-9)13(18)19/h1-6,17H,(H,18,19)
InChIKeyZBWNSPJUVXJTPV-UHFFFAOYSA-N
MW380.64 g/mol
LogP4.15
Rot. Bonds4

About 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid

3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid (PubChem CID 75414770) has the molecular formula C13H8Cl3NO4S and a molecular weight of 380.64 g/mol. Its IUPAC name is 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
PubChem CID75414770
Molecular FormulaC13H8Cl3NO4S
Molecular Weight380.64 g/mol
Exact Mass378.92
IUPAC Name3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3NO4S/c14-8-5-10(15)12(11(16)6-8)22(20,21)17-9-3-1-2-7(4-9)13(18)19/h1-6,17H,(H,18,19)
InChIKeyZBWNSPJUVXJTPV-UHFFFAOYSA-N
XLogP4.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.64
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dioxo-4-[3-[(2,4,6-trichlorophenyl)sulfonylamino]phenyl]butanoic acid
CID 510778
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
3-[(methylsulfonimidoyl)amino]benzoic acid
CID 164648451
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43294331
3-[(2-phenylphenyl)sulfonylamino]benzoic acid
CID 52565138
4-[3-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid
CID 510781
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid (CID 75414770) is 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid?
The InChIKey is ZBWNSPJUVXJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO4S/c14-8-5-10(15)12(11(16)6-8)22(20,21)17-9-3-1-2-7(4-9)13(18)19/h1-6,17H,(H,18,19).
What are the key properties of 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid?
3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid has a molecular weight of 380.64 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 75414770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).