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

C14H22N2O4S — CID 66214874

IUPACN-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-4-7-16(11-9-15-10-11)21(17,18)14-6-5-12(19-2)8-13(14)20-3/h5-6,8,11,15H,4,7,9-10H2,1-3H3
InChIKeyBOPNFGKREWJUGX-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.08
Rot. Bonds7

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

N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide (PubChem CID 66214874) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
PubChem CID66214874
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-4-7-16(11-9-15-10-11)21(17,18)14-6-5-12(19-2)8-13(14)20-3/h5-6,8,11,15H,4,7,9-10H2,1-3H3
InChIKeyBOPNFGKREWJUGX-UHFFFAOYSA-N
XLogP1.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 66181481
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 66214666
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
N-(azetidin-3-yl)-5-chloro-2-cyano-N-propylbenzenesulfonamide
CID 66214863
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide (CID 66214874) is N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide is CCCN(C1CNC1)S(=O)(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide?
The InChIKey is BOPNFGKREWJUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-7-16(11-9-15-10-11)21(17,18)14-6-5-12(19-2)8-13(14)20-3/h5-6,8,11,15H,4,7,9-10H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide?
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 66214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).