N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide

C19H25FN2O3S — CID 131949654

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCC(c2ccc(F)cc2)c2ccco2)CC1
InChIInChI=1S/C19H25FN2O3S/c1-15-9-12-22(13-10-15)26(23,24)21-11-8-18(19-3-2-14-25-19)16-4-6-17(20)7-5-16/h2-7,14-15,18,21H,8-13H2,1H3
InChIKeyBGAPXTCMURAISY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.51
Rot. Bonds7

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 131949654) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
PubChem CID131949654
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCC(c2ccc(F)cc2)c2ccco2)CC1
InChIInChI=1S/C19H25FN2O3S/c1-15-9-12-22(13-10-15)26(23,24)21-11-8-18(19-3-2-14-25-19)16-4-6-17(20)7-5-16/h2-7,14-15,18,21H,8-13H2,1H3
InChIKeyBGAPXTCMURAISY-UHFFFAOYSA-N
XLogP3.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]piperidin-1-yl]-N,N-dimethylbenzamide
CID 45221830
2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
CID 124847066
N-[(2,2-dimethyloxan-4-yl)methyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 2939671
5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine
CID 97137063
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643237
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386114
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide (CID 131949654) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCCC(c2ccc(F)cc2)c2ccco2)CC1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is BGAPXTCMURAISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S/c1-15-9-12-22(13-10-15)26(23,24)21-11-8-18(19-3-2-14-25-19)16-4-6-17(20)7-5-16/h2-7,14-15,18,21H,8-13H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 131949654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).