(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid

C15H15NO4S — CID 103862430

IUPAC(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
SMILESO=C(O)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-15(18)14(13-9-5-2-6-10-13)16-21(19,20)11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18)/t14-/m0/s1
InChIKeyGNKIIMLQXMFHLQ-AWEZNQCLSA-N
MW305.36 g/mol
LogP1.93
Rot. Bonds6

About (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid

(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid (PubChem CID 103862430) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
PubChem CID103862430
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
SMILESO=C(O)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-15(18)14(13-9-5-2-6-10-13)16-21(19,20)11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18)/t14-/m0/s1
InChIKeyGNKIIMLQXMFHLQ-AWEZNQCLSA-N
XLogP1.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455
(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
CID 114286000
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
CID 122067686
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-amino-3-phenylpropanoic acid;(4-ethynylphenyl)imino-difluoro-oxo-λ6-sulfane;(2S)-2-[(4-ethynylphenyl)methylsulfonylamino]-2-phenylacetic acid
CID 158832003
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
CID 103862444
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid (CID 103862430) is (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid is O=C(O)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid?
The InChIKey is GNKIIMLQXMFHLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(18)14(13-9-5-2-6-10-13)16-21(19,20)11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid?
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylsulfonylamino)-2-phenylacetic acid is sourced from PubChem (CID 103862430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).