(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide

C10H13NO4S — CID 763152

IUPAC(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)[C@H](C)O
InChIInChI=1S/C10H13NO4S/c1-7-5-3-4-6-9(7)16(14,15)11-10(13)8(2)12/h3-6,8,12H,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyKLCZKBJJAFGKSR-QMMMGPOBSA-N
MW243.28 g/mol
LogP0.18
Rot. Bonds3

About (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide

(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide (PubChem CID 763152) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
PubChem CID763152
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)[C@H](C)O
InChIInChI=1S/C10H13NO4S/c1-7-5-3-4-6-9(7)16(14,15)11-10(13)8(2)12/h3-6,8,12H,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyKLCZKBJJAFGKSR-QMMMGPOBSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)sulfonylurea
CID 20975378
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
(2R)-2-acetamido-2-cyclopentyl-N-(2-methylphenyl)sulfonylacetamide
CID 94186604
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea
CID 154418525
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
2-methylbenzenesulfonate;tetramethylphosphanium
CID 22725746
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818
(2R)-2-(methylamino)-N-(4-methylnaphthalen-1-yl)sulfonylpropanamide
CID 166291932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide?
The IUPAC name of (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide (CID 763152) is (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide is Cc1ccccc1S(=O)(=O)NC(=O)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide?
The InChIKey is KLCZKBJJAFGKSR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7-5-3-4-6-9(7)16(14,15)11-10(13)8(2)12/h3-6,8,12H,1-2H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide?
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide has a molecular weight of 243.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 763152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).