4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide

C13H19FN2O2S — CID 63008897

IUPAC4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(F)cc2)CN1
InChIInChI=1S/C13H19FN2O2S/c1-10-2-3-11(8-15-10)9-16-19(17,18)13-6-4-12(14)5-7-13/h4-7,10-11,15-16H,2-3,8-9H2,1H3
InChIKeySLPSRBTXIDCBPB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds4

About 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide

4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide (PubChem CID 63008897) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
PubChem CID63008897
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(F)cc2)CN1
InChIInChI=1S/C13H19FN2O2S/c1-10-2-3-11(8-15-10)9-16-19(17,18)13-6-4-12(14)5-7-13/h4-7,10-11,15-16H,2-3,8-9H2,1H3
InChIKeySLPSRBTXIDCBPB-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63009066
N-[(6-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide
CID 64554725
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
CID 12072017
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzenesulfonamide
CID 106136048
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
4-fluoro-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 97180789
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
4-fluoro-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640404

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide (CID 63008897) is 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(F)cc2)CN1.
What is the InChIKey of 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is SLPSRBTXIDCBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-2-3-11(8-15-10)9-16-19(17,18)13-6-4-12(14)5-7-13/h4-7,10-11,15-16H,2-3,8-9H2,1H3.
What are the key properties of 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63008897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).