4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide

C15H23FN2O5S2 — CID 146075214

IUPAC4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(F)cc2C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23FN2O5S2/c1-12-10-13(16)4-5-14(12)25(21,22)17-11-15(23-2)6-8-18(9-7-15)24(3,19)20/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyTWNBDVQVWQRUMZ-UHFFFAOYSA-N
MW394.49 g/mol
LogP0.85
Rot. Bonds6

About 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide

4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 146075214) has the molecular formula C15H23FN2O5S2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID146075214
Molecular FormulaC15H23FN2O5S2
Molecular Weight394.49 g/mol
Exact Mass394.10
IUPAC Name4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(F)cc2C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23FN2O5S2/c1-12-10-13(16)4-5-14(12)25(21,22)17-11-15(23-2)6-8-18(9-7-15)24(3,19)20/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyTWNBDVQVWQRUMZ-UHFFFAOYSA-N
XLogP0.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 146075175
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
4-fluoro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methylbenzenesulfonamide
CID 146080228
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113090860
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106091008
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide (CID 146075214) is 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide is COC1(CNS(=O)(=O)c2ccc(F)cc2C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is TWNBDVQVWQRUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O5S2/c1-12-10-13(16)4-5-14(12)25(21,22)17-11-15(23-2)6-8-18(9-7-15)24(3,19)20/h4-5,10,17H,6-9,11H2,1-3H3.
What are the key properties of 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 146075214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).