N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide

C11H17NO3S — CID 39086779

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C)CO)c1
InChIInChI=1S/C11H17NO3S/c1-8-4-5-9(2)11(6-8)16(14,15)12-10(3)7-13/h4-6,10,12-13H,7H2,1-3H3/t10-/m1/s1
InChIKeyDMJOBKHLWFKULY-SNVBAGLBSA-N
MW243.33 g/mol
LogP0.96
Rot. Bonds4

About N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide

N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 39086779) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID39086779
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C)CO)c1
InChIInChI=1S/C11H17NO3S/c1-8-4-5-9(2)11(6-8)16(14,15)12-10(3)7-13/h4-6,10,12-13H,7H2,1-3H3/t10-/m1/s1
InChIKeyDMJOBKHLWFKULY-SNVBAGLBSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366
2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 78429212
(2S,3R)-2-[(2,5-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 14100896
N-[(2R,4S)-1,4-dihydroxy-5,5-dimethylhexan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 124846112
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylpentanoate
CID 6940754
5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 86943047

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide (CID 39086779) is N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CO)c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is DMJOBKHLWFKULY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-4-5-9(2)11(6-8)16(14,15)12-10(3)7-13/h4-6,10,12-13H,7H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 39086779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).