N-(4-phenylbutan-2-yl)ethanesulfonamide

C12H19NO2S — CID 2933126

IUPACN-(4-phenylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-16(14,15)13-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyHVCOCEFZYAORAF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.95
Rot. Bonds6

About N-(4-phenylbutan-2-yl)ethanesulfonamide

N-(4-phenylbutan-2-yl)ethanesulfonamide (PubChem CID 2933126) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)ethanesulfonamide
PubChem CID2933126
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(4-phenylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-16(14,15)13-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyHVCOCEFZYAORAF-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(4-phenylbutan-2-yl)ethanesulfonamide (CID 2933126) is N-(4-phenylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C)CCc1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)ethanesulfonamide?
The InChIKey is HVCOCEFZYAORAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-16(14,15)13-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3.
What are the key properties of N-(4-phenylbutan-2-yl)ethanesulfonamide?
N-(4-phenylbutan-2-yl)ethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 2933126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).