N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide

C11H14ClFN2O2S — CID 66182987

IUPACN-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2S/c1-2-15(8-6-14-7-8)18(16,17)10-5-3-4-9(12)11(10)13/h3-5,8,14H,2,6-7H2,1H3
InChIKeyRDZCBDIINMZTCR-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.46
Rot. Bonds4

About N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide

N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 66182987) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID66182987
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC NameN-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2S/c1-2-15(8-6-14-7-8)18(16,17)10-5-3-4-9(12)11(10)13/h3-5,8,14H,2,6-7H2,1H3
InChIKeyRDZCBDIINMZTCR-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-fluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylbenzenesulfonamide
CID 43598448
N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 66184263
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
CID 66181484
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
N-(azetidin-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 66181491

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide (CID 66182987) is N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is RDZCBDIINMZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c1-2-15(8-6-14-7-8)18(16,17)10-5-3-4-9(12)11(10)13/h3-5,8,14H,2,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide?
N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-chloro-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 66182987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).