2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid

C21H19NO4S — CID 67841348

IUPAC2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(NS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-20(24)15-16-11-13-18(14-12-16)21(17-7-3-1-4-8-17)22-27(25,26)19-9-5-2-6-10-19/h1-14,21-22H,15H2,(H,23,24)
InChIKeyJNYZGOSMNWXAFN-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.38
Rot. Bonds7

About 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid

2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid (PubChem CID 67841348) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
PubChem CID67841348
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(NS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-20(24)15-16-11-13-18(14-12-16)21(17-7-3-1-4-8-17)22-27(25,26)19-9-5-2-6-10-19/h1-14,21-22H,15H2,(H,23,24)
InChIKeyJNYZGOSMNWXAFN-UHFFFAOYSA-N
XLogP3.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetate
CID 139640725
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
CID 61464585
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
CID 81389151
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid (CID 67841348) is 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(C(NS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid?
The InChIKey is JNYZGOSMNWXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c23-20(24)15-16-11-13-18(14-12-16)21(17-7-3-1-4-8-17)22-27(25,26)19-9-5-2-6-10-19/h1-14,21-22H,15H2,(H,23,24).
What are the key properties of 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid?
2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid has a molecular weight of 381.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 67841348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).