3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide

C13H19FN2O3S — CID 60712967

IUPAC3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-12-9-11(20(15,18)19)4-5-13(12)16-7-2-1-3-10(16)6-8-17/h4-5,9-10,17H,1-3,6-8H2,(H2,15,18,19)
InChIKeyRRMLCVXGGRWROY-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.21
Rot. Bonds4

About 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide

3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide (PubChem CID 60712967) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
PubChem CID60712967
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-12-9-11(20(15,18)19)4-5-13(12)16-7-2-1-3-10(16)6-8-17/h4-5,9-10,17H,1-3,6-8H2,(H2,15,18,19)
InChIKeyRRMLCVXGGRWROY-UHFFFAOYSA-N
XLogP1.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317009
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43658248
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
CID 82685589
2-[1-(4-chloro-2-nitrophenyl)piperidin-2-yl]ethanol
CID 60677657
4-[2-(chloromethyl)piperidin-1-yl]-3-fluoroaniline
CID 141469083
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
CID 61146696
5-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 62493326
3-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-2-yl]propan-1-ol
CID 163219842
2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
CID 81294625
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146694

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide (CID 60712967) is 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCCCC2CCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is RRMLCVXGGRWROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-12-9-11(20(15,18)19)4-5-13(12)16-7-2-1-3-10(16)6-8-17/h4-5,9-10,17H,1-3,6-8H2,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide?
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 60712967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).