N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide

C16H16F2N2O3S — CID 68950178

IUPACN-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C2CNC2)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F2N2O3S/c17-16(18)23-14-2-1-3-15(8-14)24(21,22)20-13-6-4-11(5-7-13)12-9-19-10-12/h1-8,12,16,19-20H,9-10H2
InChIKeyCJSCMKMEVQYIOD-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.78
Rot. Bonds6

About N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide

N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide (PubChem CID 68950178) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
PubChem CID68950178
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C2CNC2)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F2N2O3S/c17-16(18)23-14-2-1-3-15(8-14)24(21,22)20-13-6-4-11(5-7-13)12-9-19-10-12/h1-8,12,16,19-20H,9-10H2
InChIKeyCJSCMKMEVQYIOD-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 68954670
3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 67019652
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 146143726
3-(difluoromethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 91949648
N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
CID 67135896
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
1-(difluoromethoxy)-3-(sulfamoylamino)benzene
CID 112573446
3-[4-(difluoromethoxy)phenyl]piperidine
CID 117326655

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide (CID 68950178) is N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(C2CNC2)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide?
The InChIKey is CJSCMKMEVQYIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c17-16(18)23-14-2-1-3-15(8-14)24(21,22)20-13-6-4-11(5-7-13)12-9-19-10-12/h1-8,12,16,19-20H,9-10H2.
What are the key properties of N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide?
N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 68950178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).