N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide

C18H27NO3S — CID 177217688

IUPACN-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide
SMILESC=CCCCCC1(NS(=O)(=O)c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C18H27NO3S/c1-3-4-5-6-11-18(12-14-22-15-13-18)19-23(20,21)17-9-7-16(2)8-10-17/h3,7-10,19H,1,4-6,11-15H2,2H3
InChIKeyQIJSFMSVYOXNII-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.57
Rot. Bonds8

About N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide

N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide (PubChem CID 177217688) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide
PubChem CID177217688
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC NameN-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide
SMILESC=CCCCCC1(NS(=O)(=O)c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C18H27NO3S/c1-3-4-5-6-11-18(12-14-22-15-13-18)19-23(20,21)17-9-7-16(2)8-10-17/h3,7-10,19H,1,4-6,11-15H2,2H3
InChIKeyQIJSFMSVYOXNII-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide (CID 177217688) is N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide is C=CCCCCC1(NS(=O)(=O)c2ccc(C)cc2)CCOCC1.
What is the InChIKey of N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is QIJSFMSVYOXNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-3-4-5-6-11-18(12-14-22-15-13-18)19-23(20,21)17-9-7-16(2)8-10-17/h3,7-10,19H,1,4-6,11-15H2,2H3.
What are the key properties of N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide?
N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 337.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hex-5-enyloxan-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 177217688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).