(2S)-2-(benzenesulfonamido)-2-phenylacetic acid

C14H13NO4S — CID 705730

IUPAC(2S)-2-(benzenesulfonamido)-2-phenylacetic acid
SMILESO=C(O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/t13-/m0/s1
InChIKeyQJBGCXNTFZBQJR-ZDUSSCGKSA-N
MW291.33 g/mol
LogP1.79
Rot. Bonds5

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

(2S)-2-(benzenesulfonamido)-2-phenylacetic acid (PubChem CID 705730) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-2-phenylacetic acid
PubChem CID705730
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name(2S)-2-(benzenesulfonamido)-2-phenylacetic acid
SMILESO=C(O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/t13-/m0/s1
InChIKeyQJBGCXNTFZBQJR-ZDUSSCGKSA-N
XLogP1.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(benzenesulfonamido)-2-phenylacetic acid (CID 705730) is (2S)-2-(benzenesulfonamido)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-2-phenylacetic acid is O=C(O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-2-phenylacetic acid?
The InChIKey is QJBGCXNTFZBQJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-2-phenylacetic acid?
(2S)-2-(benzenesulfonamido)-2-phenylacetic acid has a molecular weight of 291.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-2-phenylacetic acid is sourced from PubChem (CID 705730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).