N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

C15H24N2O2S — CID 107329174

IUPACN-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2c(C)cc(NC)cc2C)CCC1
InChIInChI=1S/C15H24N2O2S/c1-5-15(7-6-8-15)17-20(18,19)14-11(2)9-13(16-4)10-12(14)3/h9-10,16-17H,5-8H2,1-4H3
InChIKeyJZKJUUOBQRBQFX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.96
Rot. Bonds5

About N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (PubChem CID 107329174) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
PubChem CID107329174
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2c(C)cc(NC)cc2C)CCC1
InChIInChI=1S/C15H24N2O2S/c1-5-15(7-6-8-15)17-20(18,19)14-11(2)9-13(16-4)10-12(14)3/h9-10,16-17H,5-8H2,1-4H3
InChIKeyJZKJUUOBQRBQFX-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (CID 107329174) is N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is CCC1(NS(=O)(=O)c2c(C)cc(NC)cc2C)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is JZKJUUOBQRBQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-15(7-6-8-15)17-20(18,19)14-11(2)9-13(16-4)10-12(14)3/h9-10,16-17H,5-8H2,1-4H3.
What are the key properties of N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107329174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).