(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid

C15H15NO4S — CID 141071550

IUPAC(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
SMILESC[C@H](C(=O)O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-11(15(17)18)13-9-5-6-10-14(13)16-21(19,20)12-7-3-2-4-8-12/h2-11,16H,1H3,(H,17,18)/t11-/m0/s1
InChIKeyGRODNHXZDGEVDL-NSHDSACASA-N
MW305.36 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid

(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid (PubChem CID 141071550) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
PubChem CID141071550
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
SMILESC[C@H](C(=O)O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-11(15(17)18)13-9-5-6-10-14(13)16-21(19,20)12-7-3-2-4-8-12/h2-11,16H,1H3,(H,17,18)/t11-/m0/s1
InChIKeyGRODNHXZDGEVDL-NSHDSACASA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
CID 141071562
4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43332053
N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
(2R)-2-[2-(methanesulfonamido)phenyl]propanamide
CID 66860798
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
[2-(benzenesulfonamido)phenyl] propanoate
CID 68830136
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid?
The IUPAC name of (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid (CID 141071550) is (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid is C[C@H](C(=O)O)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid?
The InChIKey is GRODNHXZDGEVDL-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11(15(17)18)13-9-5-6-10-14(13)16-21(19,20)12-7-3-2-4-8-12/h2-11,16H,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid?
(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid is sourced from PubChem (CID 141071550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).