N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide

C12H15ClF2N2O3S — CID 66181484

IUPACN-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O3S/c1-2-17(8-6-16-7-8)21(18,19)9-3-4-11(10(13)5-9)20-12(14)15/h3-5,8,12,16H,2,6-7H2,1H3
InChIKeyWTBGGTVYEOEYLB-UHFFFAOYSA-N
MW340.78 g/mol
LogP1.92
Rot. Bonds6

About N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide

N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide (PubChem CID 66181484) has the molecular formula C12H15ClF2N2O3S and a molecular weight of 340.78 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
PubChem CID66181484
Molecular FormulaC12H15ClF2N2O3S
Molecular Weight340.78 g/mol
Exact Mass340.05
IUPAC NameN-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O3S/c1-2-17(8-6-16-7-8)21(18,19)9-3-4-11(10(13)5-9)20-12(14)15/h3-5,8,12,16H,2,6-7H2,1H3
InChIKeyWTBGGTVYEOEYLB-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 66182987
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
N-(azetidin-3-yl)-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 66184704
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120875580
N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 66184263
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
CID 37496456

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide (CID 66181484) is N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide?
The InChIKey is WTBGGTVYEOEYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3S/c1-2-17(8-6-16-7-8)21(18,19)9-3-4-11(10(13)5-9)20-12(14)15/h3-5,8,12,16H,2,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide?
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide has a molecular weight of 340.78 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 66181484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).