N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide

C15H24N2O3S — CID 70412164

IUPACN-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide
SMILESCCCCCC/N=C/C(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-4-5-6-11-16-12-15(18)13-7-9-14(10-8-13)17-21(2,19)20/h7-10,12,15,17-18H,3-6,11H2,1-2H3/b16-12+
InChIKeyZRBDKEXIWXAEII-FOWTUZBSSA-N
MW312.44 g/mol
LogP2.74
Rot. Bonds9

About N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide

N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide (PubChem CID 70412164) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide
PubChem CID70412164
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide
SMILESCCCCCC/N=C/C(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-4-5-6-11-16-12-15(18)13-7-9-14(10-8-13)17-21(2,19)20/h7-10,12,15,17-18H,3-6,11H2,1-2H3/b16-12+
InChIKeyZRBDKEXIWXAEII-FOWTUZBSSA-N
XLogP2.74
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-hexyliminoethyl)phenyl]methanesulfonamide
CID 70411421
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891458
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
(E)-but-2-enedioate;bis(ethyl-heptyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]azanium)
CID 24820163
diethyl-heptyl-[1-hydroxy-2-[4-(methanesulfonamido)phenyl]ethyl]azanium
CID 70411453
N-[4-(2-azido-1-hydroxyethyl)phenyl]methanesulfonamide
CID 90989606
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70410687
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide bromide
CID 70410686
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
CID 24377

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide (CID 70412164) is N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide is CCCCCC/N=C/C(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide?
The InChIKey is ZRBDKEXIWXAEII-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-5-6-11-16-12-15(18)13-7-9-14(10-8-13)17-21(2,19)20/h7-10,12,15,17-18H,3-6,11H2,1-2H3/b16-12+.
What are the key properties of N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide?
N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 70412164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).