N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide

C13H21NO3S — CID 135005405

IUPACN-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
SMILESCCCC[C@@H](O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO3S/c1-3-4-5-12(15)10-14-18(16,17)13-8-6-11(2)7-9-13/h6-9,12,14-15H,3-5,10H2,1-2H3/t12-/m1/s1
InChIKeyRWFITIRZSIVUBC-GFCCVEGCSA-N
MW271.38 g/mol
LogP1.82
Rot. Bonds7

About N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide

N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide (PubChem CID 135005405) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
PubChem CID135005405
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
SMILESCCCC[C@@H](O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO3S/c1-3-4-5-12(15)10-14-18(16,17)13-8-6-11(2)7-9-13/h6-9,12,14-15H,3-5,10H2,1-2H3/t12-/m1/s1
InChIKeyRWFITIRZSIVUBC-GFCCVEGCSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
CID 101158794
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
N-(2-azidohexyl)-4-methylbenzenesulfonamide
CID 11266449
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
N-[13-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]tridecyl]-4-methylbenzenesulfonamide
CID 19755985
N-(2-hydroxy-3-prop-2-enoxypropyl)-4-methylbenzenesulfonamide
CID 71419925
4-methyl-N-[(2R)-2-(2-methylquinolin-6-yl)hexyl]benzenesulfonamide
CID 102455391
2,2-dimethyl-N-[4-[1-[(4-methylphenyl)sulfonylamino]hexan-2-yl]phenyl]propanamide
CID 134945858
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide (CID 135005405) is N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide is CCCC[C@@H](O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide?
The InChIKey is RWFITIRZSIVUBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-4-5-12(15)10-14-18(16,17)13-8-6-11(2)7-9-13/h6-9,12,14-15H,3-5,10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135005405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).