4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide

C15H25NO3S — CID 84558138

IUPAC4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCC(C)O)cc1
InChIInChI=1S/C15H25NO3S/c1-3-4-5-6-7-14-8-10-15(11-9-14)20(18,19)16-12-13(2)17/h8-11,13,16-17H,3-7,12H2,1-2H3
InChIKeyZFCRNWSCRPGWPN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.47
Rot. Bonds9

About 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide

4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 84558138) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID84558138
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCC(C)O)cc1
InChIInChI=1S/C15H25NO3S/c1-3-4-5-6-7-14-8-10-15(11-9-14)20(18,19)16-12-13(2)17/h8-11,13,16-17H,3-7,12H2,1-2H3
InChIKeyZFCRNWSCRPGWPN-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
4-octatriacontylbenzenesulfonic acid
CID 101306527
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-heptacosylbenzenesulfonic acid
CID 101306334
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide (CID 84558138) is 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide is CCCCCCc1ccc(S(=O)(=O)NCC(C)O)cc1.
What is the InChIKey of 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is ZFCRNWSCRPGWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-4-5-6-7-14-8-10-15(11-9-14)20(18,19)16-12-13(2)17/h8-11,13,16-17H,3-7,12H2,1-2H3.
What are the key properties of 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide?
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 84558138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).