3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid

C19H14ClNO5S — CID 45464935

IUPAC3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C19H14ClNO5S/c20-14-9-10-18(26-15-6-2-1-3-7-15)17(12-14)21-27(24,25)16-8-4-5-13(11-16)19(22)23/h1-12,21H,(H,22,23)
InChIKeySVGNGPXTKISYMS-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.63
Rot. Bonds6

About 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid

3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 45464935) has the molecular formula C19H14ClNO5S and a molecular weight of 403.84 g/mol. Its IUPAC name is 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
PubChem CID45464935
Molecular FormulaC19H14ClNO5S
Molecular Weight403.84 g/mol
Exact Mass403.03
IUPAC Name3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C19H14ClNO5S/c20-14-9-10-18(26-15-6-2-1-3-7-15)17(12-14)21-27(24,25)16-8-4-5-13(11-16)19(22)23/h1-12,21H,(H,22,23)
InChIKeySVGNGPXTKISYMS-UHFFFAOYSA-N
XLogP4.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]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

3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069
3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 21372759
N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 9172981
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
3-[(4-cyanophenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 51135610
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 39584336

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid (CID 45464935) is 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1.
What is the InChIKey of 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is SVGNGPXTKISYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5S/c20-14-9-10-18(26-15-6-2-1-3-7-15)17(12-14)21-27(24,25)16-8-4-5-13(11-16)19(22)23/h1-12,21H,(H,22,23).
What are the key properties of 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid?
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 403.84 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 45464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).