2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid

C15H15NO4S — CID 69392310

IUPAC2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-14(18)11-16-15(12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)
InChIKeyUPNAKQXPVPLVGU-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.83
Rot. Bonds6

About 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid

2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid (PubChem CID 69392310) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid
PubChem CID69392310
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-14(18)11-16-15(12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)
InChIKeyUPNAKQXPVPLVGU-UHFFFAOYSA-N
XLogP1.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzenesulfonyl(phenyl)methanol
CID 174895803
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 14093660
2-(benzenesulfonylcarbonylamino)acetic acid
CID 89198477
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 173391415
1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one
CID 166437676
2-[(1-amino-1-oxo-4,4-diphenylbutan-2-yl)amino]acetic acid
CID 22035241
butyl N-[benzenesulfonyl-(4-bromophenyl)methyl]carbamate
CID 12965365
(2S)-3,3-bis(benzenesulfonyl)-2-phenylpropan-1-ol
CID 101238373
2,2-bis(benzenesulfonyl)-N-phenylacetamide
CID 17339954
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761

Frequently Asked Questions

What is the IUPAC name of 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid (CID 69392310) is 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid is O=C(O)CNC(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid?
The InChIKey is UPNAKQXPVPLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-14(18)11-16-15(12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18).
What are the key properties of 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid?
2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid is sourced from PubChem (CID 69392310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).