4-(2-hydroxypentyl)benzenesulfonamide

C11H17NO3S — CID 63201232

IUPAC4-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-3-10(13)8-9-4-6-11(7-5-9)16(12,14)15/h4-7,10,13H,2-3,8H2,1H3,(H2,12,14,15)
InChIKeyJJUFICWTRDYAPD-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.04
Rot. Bonds5

About 4-(2-hydroxypentyl)benzenesulfonamide

4-(2-hydroxypentyl)benzenesulfonamide (PubChem CID 63201232) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxypentyl)benzenesulfonamide
PubChem CID63201232
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-3-10(13)8-9-4-6-11(7-5-9)16(12,14)15/h4-7,10,13H,2-3,8H2,1H3,(H2,12,14,15)
InChIKeyJJUFICWTRDYAPD-UHFFFAOYSA-N
XLogP1.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446
1-(4-iodophenyl)pentan-2-ol
CID 65476847
4-(1-hydroxypentyl)benzenesulfonamide
CID 139816747
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
4-[2-(propylamino)propyl]benzenesulfonamide
CID 55219921
4-pentan-2-ylbenzenesulfonamide
CID 134449965
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
2-methylpentyl 3-(4-sulfamoylphenyl)propanoate
CID 103286166
4-nonylbenzenesulfonamide
CID 19845394
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxypentyl)benzenesulfonamide (CID 63201232) is 4-(2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxypentyl)benzenesulfonamide is CCCC(O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-hydroxypentyl)benzenesulfonamide?
The InChIKey is JJUFICWTRDYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-3-10(13)8-9-4-6-11(7-5-9)16(12,14)15/h4-7,10,13H,2-3,8H2,1H3,(H2,12,14,15).
What are the key properties of 4-(2-hydroxypentyl)benzenesulfonamide?
4-(2-hydroxypentyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 63201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).