3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide

C10H15NO4S — CID 175061321

IUPAC3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(OC[C@H](C)O)c1
InChIInChI=1S/C10H15NO4S/c1-8(12)7-15-9-4-3-5-10(6-9)16(13,14)11-2/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1
InChIKeyGTACJLPYAGGGHS-QMMMGPOBSA-N
MW245.30 g/mol
LogP0.35
Rot. Bonds5

About 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide

3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide (PubChem CID 175061321) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide
PubChem CID175061321
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(OC[C@H](C)O)c1
InChIInChI=1S/C10H15NO4S/c1-8(12)7-15-9-4-3-5-10(6-9)16(13,14)11-2/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1
InChIKeyGTACJLPYAGGGHS-QMMMGPOBSA-N
XLogP0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
CID 175231435
[5-hydroxy-2-methyl-6-[3-(methylsulfamoyl)phenoxy]hexan-2-yl] carbamate
CID 175063433
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
ethane;1-phenoxypropan-2-ol
CID 90926921
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014
acetic acid;1-phenoxypropan-2-ol
CID 68567525

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide (CID 175061321) is 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(OC[C@H](C)O)c1.
What is the InChIKey of 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide?
The InChIKey is GTACJLPYAGGGHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-8(12)7-15-9-4-3-5-10(6-9)16(13,14)11-2/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide?
3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 175061321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).