N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide

C16H23NO3S — CID 91943052

IUPACN-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
SMILESCCC1(CNS(=O)(=O)C=Cc2ccccc2)CCOCC1
InChIInChI=1S/C16H23NO3S/c1-2-16(9-11-20-12-10-16)14-17-21(18,19)13-8-15-6-4-3-5-7-15/h3-8,13,17H,2,9-12,14H2,1H3
InChIKeyUVPNFHKHGMVBMX-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.78
Rot. Bonds6

About N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide

N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide (PubChem CID 91943052) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
PubChem CID91943052
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
SMILESCCC1(CNS(=O)(=O)C=Cc2ccccc2)CCOCC1
InChIInChI=1S/C16H23NO3S/c1-2-16(9-11-20-12-10-16)14-17-21(18,19)13-8-15-6-4-3-5-7-15/h3-8,13,17H,2,9-12,14H2,1H3
InChIKeyUVPNFHKHGMVBMX-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide (CID 91943052) is N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide is CCC1(CNS(=O)(=O)C=Cc2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide?
The InChIKey is UVPNFHKHGMVBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-16(9-11-20-12-10-16)14-17-21(18,19)13-8-15-6-4-3-5-7-15/h3-8,13,17H,2,9-12,14H2,1H3.
What are the key properties of N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide?
N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 91943052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).