2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid

C19H14FNO4S — CID 123387963

IUPAC2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14FNO4S/c20-15-10-8-13(9-11-15)14-4-3-5-16(12-14)26(24,25)21-18-7-2-1-6-17(18)19(22)23/h1-12,21H,(H,22,23)
InChIKeyCNNZOEQQBOWVBX-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.99
Rot. Bonds5

About 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid

2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 123387963) has the molecular formula C19H14FNO4S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
PubChem CID123387963
Molecular FormulaC19H14FNO4S
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14FNO4S/c20-15-10-8-13(9-11-15)14-4-3-5-16(12-14)26(24,25)21-18-7-2-1-6-17(18)19(22)23/h1-12,21H,(H,22,23)
InChIKeyCNNZOEQQBOWVBX-UHFFFAOYSA-N
XLogP3.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 162219143
5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
CID 171346728
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
2-[[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid
CID 44605019
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
5-(benzenesulfonamido)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid
CID 135385857
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N,3-diphenylbenzenesulfonamide
CID 54513984
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid (CID 123387963) is 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is CNNZOEQQBOWVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4S/c20-15-10-8-13(9-11-15)14-4-3-5-16(12-14)26(24,25)21-18-7-2-1-6-17(18)19(22)23/h1-12,21H,(H,22,23).
What are the key properties of 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid?
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 371.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 123387963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).