4-(1-hydroxypentyl)benzenesulfonamide

C11H17NO3S — CID 139816747

IUPAC4-(1-hydroxypentyl)benzenesulfonamide
SMILESCCCCC(O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-3-4-11(13)9-5-7-10(8-6-9)16(12,14)15/h5-8,11,13H,2-4H2,1H3,(H2,12,14,15)
InChIKeyQEZUMMSLLDKNBM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.56
Rot. Bonds5

About 4-(1-hydroxypentyl)benzenesulfonamide

4-(1-hydroxypentyl)benzenesulfonamide (PubChem CID 139816747) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(1-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxypentyl)benzenesulfonamide
PubChem CID139816747
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-(1-hydroxypentyl)benzenesulfonamide
SMILESCCCCC(O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-3-4-11(13)9-5-7-10(8-6-9)16(12,14)15/h5-8,11,13H,2-4H2,1H3,(H2,12,14,15)
InChIKeyQEZUMMSLLDKNBM-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
4-pentan-2-ylbenzenesulfonamide
CID 134449965
(1S)-1-phenylpentan-1-ol
CID 6992754
4-(2-hydroxypentyl)benzenesulfonamide
CID 63201232
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62200407
1-(4-sulfamoylphenyl)ethyl tetradecanoate
CID 139816764
4-tributylstannylbenzenesulfonamide
CID 18768487
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxypentyl)benzenesulfonamide (CID 139816747) is 4-(1-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxypentyl)benzenesulfonamide is CCCCC(O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(1-hydroxypentyl)benzenesulfonamide?
The InChIKey is QEZUMMSLLDKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-3-4-11(13)9-5-7-10(8-6-9)16(12,14)15/h5-8,11,13H,2-4H2,1H3,(H2,12,14,15).
What are the key properties of 4-(1-hydroxypentyl)benzenesulfonamide?
4-(1-hydroxypentyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 139816747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).