N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide

C16H24F2N2O2S — CID 52539410

IUPACN-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
SMILESCCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2O2S/c1-2-3-9-20-10-5-4-6-13(20)12-19-23(21,22)14-7-8-15(17)16(18)11-14/h7-8,11,13,19H,2-6,9-10,12H2,1H3/t13-/m0/s1
InChIKeyVNGIVLTWZQTNCN-ZDUSSCGKSA-N
MW346.44 g/mol
LogP2.90
Rot. Bonds7

About N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide

N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide (PubChem CID 52539410) has the molecular formula C16H24F2N2O2S and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
PubChem CID52539410
Molecular FormulaC16H24F2N2O2S
Molecular Weight346.44 g/mol
Exact Mass346.15
IUPAC NameN-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
SMILESCCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2O2S/c1-2-3-9-20-10-5-4-6-13(20)12-19-23(21,22)14-7-8-15(17)16(18)11-14/h7-8,11,13,19H,2-6,9-10,12H2,1H3/t13-/m0/s1
InChIKeyVNGIVLTWZQTNCN-ZDUSSCGKSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
4-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022558
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825249
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 115329954
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46778535
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 86849113
3-amino-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927593

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide (CID 52539410) is N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide is CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is VNGIVLTWZQTNCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24F2N2O2S/c1-2-3-9-20-10-5-4-6-13(20)12-19-23(21,22)14-7-8-15(17)16(18)11-14/h7-8,11,13,19H,2-6,9-10,12H2,1H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide?
N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 346.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-butylpiperidin-2-yl]methyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 52539410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).