N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide

C10H15NO4S — CID 79027643

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@H](C)CO
InChIInChI=1S/C10H15NO4S/c1-8(7-12)11-16(13,14)10-6-4-3-5-9(10)15-2/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1
InChIKeyGANFECXFHHMVQO-MRVPVSSYSA-N
MW245.30 g/mol
LogP0.35
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide

N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide (PubChem CID 79027643) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
PubChem CID79027643
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@H](C)CO
InChIInChI=1S/C10H15NO4S/c1-8(7-12)11-16(13,14)10-6-4-3-5-9(10)15-2/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1
InChIKeyGANFECXFHHMVQO-MRVPVSSYSA-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

N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
3-(1-hydroxypropan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43499107
3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 107215557
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
CID 62479342
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
CID 115040041

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide (CID 79027643) is N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)N[C@H](C)CO.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide?
The InChIKey is GANFECXFHHMVQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-8(7-12)11-16(13,14)10-6-4-3-5-9(10)15-2/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide 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 N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 79027643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).