2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid

C15H15NO4S — CID 90148129

IUPAC2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-16(11-15(17)18)21(19,20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyLNSOQNUEODUTCH-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.06
Rot. Bonds5

About 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid

2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid (PubChem CID 90148129) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
PubChem CID90148129
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-16(11-15(17)18)21(19,20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyLNSOQNUEODUTCH-UHFFFAOYSA-N
XLogP2.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
2-[(4-butanoylphenyl)sulfonyl-methylamino]acetic acid
CID 82164598
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192737
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
4-[[2-[benzenesulfonyl(methyl)amino]acetyl]-methylamino]butanoic acid
CID 119136438
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid (CID 90148129) is 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid?
The InChIKey is LNSOQNUEODUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(11-15(17)18)21(19,20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid?
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 90148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).