N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide

C14H22N2O2S — CID 66214666

IUPACN-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-4-7-16(13-9-15-10-13)19(17,18)14-6-5-11(2)8-12(14)3/h5-6,8,13,15H,4,7,9-10H2,1-3H3
InChIKeyYRZRFRBVWIJAHW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.68
Rot. Bonds5

About N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide

N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide (PubChem CID 66214666) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide
PubChem CID66214666
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-4-7-16(13-9-15-10-13)19(17,18)14-6-5-11(2)8-12(14)3/h5-6,8,13,15H,4,7,9-10H2,1-3H3
InChIKeyYRZRFRBVWIJAHW-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
N-(azetidin-3-yl)-5-chloro-2-cyano-N-propylbenzenesulfonamide
CID 66214863
N-cyclopentyl-2,4-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776085
methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119994102

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide (CID 66214666) is N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide is CCCN(C1CNC1)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is YRZRFRBVWIJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-7-16(13-9-15-10-13)19(17,18)14-6-5-11(2)8-12(14)3/h5-6,8,13,15H,4,7,9-10H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide?
N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 66214666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).