4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide

C16H23FN2O3S — CID 146078574

IUPAC4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCOCC2)C1
InChIInChI=1S/C16H23FN2O3S/c1-12-10-13(17)2-3-16(12)23(20,21)18-14-4-7-19(11-14)15-5-8-22-9-6-15/h2-3,10,14-15,18H,4-9,11H2,1H3
InChIKeyQMIGSWCXLPVXSI-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.67
Rot. Bonds4

About 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide

4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 146078574) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID146078574
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCOCC2)C1
InChIInChI=1S/C16H23FN2O3S/c1-12-10-13(17)2-3-16(12)23(20,21)18-14-4-7-19(11-14)15-5-8-22-9-6-15/h2-3,10,14-15,18H,4-9,11H2,1H3
InChIKeyQMIGSWCXLPVXSI-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzenesulfonamide
CID 102920675
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
8-fluoro-3-methyl-N-(oxan-4-yl)phenoxathiine-2-sulfonamide
CID 90961856
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868839
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
methyl 4-fluoro-2-(oxan-4-ylsulfamoyl)benzoate
CID 103833498
4-fluoro-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100690280
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43597451
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide (CID 146078574) is 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCOCC2)C1.
What is the InChIKey of 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is QMIGSWCXLPVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-12-10-13(17)2-3-16(12)23(20,21)18-14-4-7-19(11-14)15-5-8-22-9-6-15/h2-3,10,14-15,18H,4-9,11H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 146078574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).