4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

C16H25FN2O2S — CID 110402904

IUPAC4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C16H25FN2O2S/c1-13(2)16(19-10-4-3-5-11-19)12-18-22(20,21)15-8-6-14(17)7-9-15/h6-9,13,16,18H,3-5,10-12H2,1-2H3
InChIKeyHTWZZZMKIITBQU-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.61
Rot. Bonds6

About 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 110402904) has the molecular formula C16H25FN2O2S and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID110402904
Molecular FormulaC16H25FN2O2S
Molecular Weight328.45 g/mol
Exact Mass328.16
IUPAC Name4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C16H25FN2O2S/c1-13(2)16(19-10-4-3-5-11-19)12-18-22(20,21)15-8-6-14(17)7-9-15/h6-9,13,16,18H,3-5,10-12H2,1-2H3
InChIKeyHTWZZZMKIITBQU-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402911
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
CID 61250547
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110402939
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
4-fluoro-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 40828975
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-fluorobenzenesulfonamide
CID 7498058
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (CID 110402904) is 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is HTWZZZMKIITBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2S/c1-13(2)16(19-10-4-3-5-11-19)12-18-22(20,21)15-8-6-14(17)7-9-15/h6-9,13,16,18H,3-5,10-12H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 328.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 110402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).