4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid

C20H17NO4S — CID 130247707

IUPAC4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
SMILESO=C(O)c1ccc(CS(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO4S/c22-20(23)18-8-6-15(7-9-18)14-26(24,25)21-19-12-10-17(11-13-19)16-4-2-1-3-5-16/h1-13,21H,14H2,(H,22,23)
InChIKeyXFXNGQVPIGBFAQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.99
Rot. Bonds6

About 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid

4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid (PubChem CID 130247707) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
PubChem CID130247707
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
SMILESO=C(O)c1ccc(CS(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO4S/c22-20(23)18-8-6-15(7-9-18)14-26(24,25)21-19-12-10-17(11-13-19)16-4-2-1-3-5-16/h1-13,21H,14H2,(H,22,23)
InChIKeyXFXNGQVPIGBFAQ-UHFFFAOYSA-N
XLogP3.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(benzylsulfonylamino)benzoate
CID 743645
4-[(3-bromophenyl)sulfamoylmethyl]benzoic acid
CID 43362486
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
1-phenyl-N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 46943274
4-[[4-(3-fluorophenyl)phenyl]sulfamoylmethyl]-2-methylbenzoic acid
CID 138697424
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
CID 43104761
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
CID 43362487
4-[[(2S)-2-carboxypropyl]sulfonylamino]benzoic acid
CID 42220628
1-(4-methylphenyl)-N-(5-phenyl-3-pyridinyl)methanesulfonamide
CID 110713753

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid (CID 130247707) is 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid is O=C(O)c1ccc(CS(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid?
The InChIKey is XFXNGQVPIGBFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c22-20(23)18-8-6-15(7-9-18)14-26(24,25)21-19-12-10-17(11-13-19)16-4-2-1-3-5-16/h1-13,21H,14H2,(H,22,23).
What are the key properties of 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid?
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid has a molecular weight of 367.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 130247707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).