(2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide

C10H14N2O5S — CID 91012127

IUPAC(2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NO)cc1
InChIInChI=1S/C10H14N2O5S/c1-7-2-4-8(5-3-7)18(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m0/s1
InChIKeyOXXIDQQNFBKBSE-VIFPVBQESA-N
MW274.30 g/mol
LogP-0.86
Rot. Bonds5

About (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide

(2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 91012127) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID91012127
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name(2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NO)cc1
InChIInChI=1S/C10H14N2O5S/c1-7-2-4-8(5-3-7)18(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m0/s1
InChIKeyOXXIDQQNFBKBSE-VIFPVBQESA-N
XLogP-0.86
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methylbenzenesulfonamido)propanoic acid
CID 362747
N~2~-[(4-Fluoro-3-Methylphenyl)sulfonyl]-N-Hydroxy-D-Alaninamide
CID 6539679
(2R)-3-(2-aminiumylethoxy)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydroxypropanamide
CID 6539699
(2R)-N-hydroxy-3-methyl-2-[(4-methylbenzene)sulfonamido]butanamide
CID 6539662
(2R)-2-[(3-fluoro-4-methylbenzene)sulfonamido]-N-hydroxy-3-methylbutanamide
CID 6539666
(S)-methyl 3-hydroxy-2-(4-methylphenylsulfonamido)propanoate
CID 6928423
3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid
CID 283773
(2S)-3-Hydroxy-2-(4-methylbenzenesulfonamido)propanoic acid
CID 774825
Threonine, N-(p-tolylsulfonyl)-
CID 351573
(2R)-N-hydroxy-3-methyl-2-{[4-(trifluoromethyl)benzene]sulfonamido}butanamide
CID 6539665
3-Amino-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 319322
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574

Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 91012127) is (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NO)cc1.
What is the InChIKey of (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is OXXIDQQNFBKBSE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-7-2-4-8(5-3-7)18(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m0/s1.
What are the key properties of (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
(2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 274.30 g/mol, XLogP of -0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 91012127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).