N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide

C13H21NO3S — CID 113496241

IUPACN-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C13H21NO3S/c1-4-5-12(15)9-14-18(16,17)13-7-10(2)6-11(3)8-13/h6-8,12,14-15H,4-5,9H2,1-3H3
InChIKeyJYMCCWSEGWFSFA-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.74
Rot. Bonds6

About N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide

N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 113496241) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
PubChem CID113496241
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C13H21NO3S/c1-4-5-12(15)9-14-18(16,17)13-7-10(2)6-11(3)8-13/h6-8,12,14-15H,4-5,9H2,1-3H3
InChIKeyJYMCCWSEGWFSFA-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
CID 107155364
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
2,5-dibromo-N-(2-hydroxypentyl)-4-methylbenzenesulfonamide
CID 115754515
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide (CID 113496241) is N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide is CCCC(O)CNS(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is JYMCCWSEGWFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-5-12(15)9-14-18(16,17)13-7-10(2)6-11(3)8-13/h6-8,12,14-15H,4-5,9H2,1-3H3.
What are the key properties of N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113496241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).