N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide

C11H13F3N2O3S — CID 66187577

IUPACN-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-16(8-6-15-7-8)20(17,18)10-5-3-2-4-9(10)19-11(12,13)14/h2-5,8,15H,6-7H2,1H3
InChIKeyJTHHKFUJCCOHSM-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.18
Rot. Bonds4

About N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide

N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 66187577) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID66187577
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC NameN-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-16(8-6-15-7-8)20(17,18)10-5-3-2-4-9(10)19-11(12,13)14/h2-5,8,15H,6-7H2,1H3
InChIKeyJTHHKFUJCCOHSM-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
N-[(3R)-3-hydroxybutyl]-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 97019594
N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 66186864
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 63297774
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide (CID 66187577) is N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide is CN(C1CNC1)S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JTHHKFUJCCOHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-16(8-6-15-7-8)20(17,18)10-5-3-2-4-9(10)19-11(12,13)14/h2-5,8,15H,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 310.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 66187577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).