N-butyl-N-phenylethenesulfonamide

C12H17NO2S — CID 129322798

IUPACN-butyl-N-phenylethenesulfonamide
SMILESC=CS(=O)(=O)N(CCCC)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-3-5-11-13(16(14,15)4-2)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11H2,1H3
InChIKeyOCQYTEQAJZCGCR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.77
Rot. Bonds6

About N-butyl-N-phenylethenesulfonamide

N-butyl-N-phenylethenesulfonamide (PubChem CID 129322798) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-butyl-N-phenylethenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-phenylethenesulfonamide
PubChem CID129322798
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-butyl-N-phenylethenesulfonamide
SMILESC=CS(=O)(=O)N(CCCC)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-3-5-11-13(16(14,15)4-2)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11H2,1H3
InChIKeyOCQYTEQAJZCGCR-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylethenesulfonamide?
The IUPAC name of N-butyl-N-phenylethenesulfonamide (CID 129322798) is N-butyl-N-phenylethenesulfonamide.
What is the SMILES notation for N-butyl-N-phenylethenesulfonamide?
The canonical SMILES for N-butyl-N-phenylethenesulfonamide is C=CS(=O)(=O)N(CCCC)c1ccccc1.
What is the InChIKey of N-butyl-N-phenylethenesulfonamide?
The InChIKey is OCQYTEQAJZCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-5-11-13(16(14,15)4-2)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11H2,1H3.
What are the key properties of N-butyl-N-phenylethenesulfonamide?
N-butyl-N-phenylethenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylethenesulfonamide is sourced from PubChem (CID 129322798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).