(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate

C22H21NO4S — CID 7913084

IUPAC(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c24-22(15-16-23-28(25,26)21-9-5-2-6-10-21)27-17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,23H,15-17H2
InChIKeyTYSFLCPDMLNVCM-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.77
Rot. Bonds8

About (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate

(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate (PubChem CID 7913084) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
PubChem CID7913084
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c24-22(15-16-23-28(25,26)21-9-5-2-6-10-21)27-17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,23H,15-17H2
InChIKeyTYSFLCPDMLNVCM-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18226800
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
CID 7725653
benzyl 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoate
CID 154361009
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 8574868

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate?
The IUPAC name of (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate (CID 7913084) is (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate?
The canonical SMILES for (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate is O=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate?
The InChIKey is TYSFLCPDMLNVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c24-22(15-16-23-28(25,26)21-9-5-2-6-10-21)27-17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,23H,15-17H2.
What are the key properties of (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate?
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate has a molecular weight of 395.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 7913084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).