(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide

C15H16N2O3S — CID 23653372

IUPAC(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-11(15(16)18)12-7-9-13(10-8-12)17-21(19,20)14-5-3-2-4-6-14/h2-11,17H,1H3,(H2,16,18)/t11-/m0/s1
InChIKeyNOQWLIZWYYEQQZ-NSHDSACASA-N
MW304.37 g/mol
LogP2.08
Rot. Bonds5

About (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide

(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide (PubChem CID 23653372) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
PubChem CID23653372
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-11(15(16)18)12-7-9-13(10-8-12)17-21(19,20)14-5-3-2-4-6-14/h2-11,17H,1H3,(H2,16,18)/t11-/m0/s1
InChIKeyNOQWLIZWYYEQQZ-NSHDSACASA-N
XLogP2.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136415
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide
CID 175545305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide?
The IUPAC name of (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide (CID 23653372) is (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide is C[C@H](C(N)=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide?
The InChIKey is NOQWLIZWYYEQQZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11(15(16)18)12-7-9-13(10-8-12)17-21(19,20)14-5-3-2-4-6-14/h2-11,17H,1H3,(H2,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide?
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(benzenesulfonamido)phenyl]propanamide is sourced from PubChem (CID 23653372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).