4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide

C16H24FN3O4S — CID 119103274

IUPAC4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1F
InChIInChI=1S/C16H24FN3O4S/c1-19(2)16(21)20-8-6-12(7-9-20)11-18-25(22,23)13-4-5-15(24-3)14(17)10-13/h4-5,10,12,18H,6-9,11H2,1-3H3
InChIKeyNCRKTSBDDONJAH-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.51
Rot. Bonds5

About 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 119103274) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID119103274
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC Name4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1F
InChIInChI=1S/C16H24FN3O4S/c1-19(2)16(21)20-8-6-12(7-9-20)11-18-25(22,23)13-4-5-15(24-3)14(17)10-13/h4-5,10,12,18H,6-9,11H2,1-3H3
InChIKeyNCRKTSBDDONJAH-UHFFFAOYSA-N
XLogP1.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888328
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977752
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 119103274) is 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide is COc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1F.
What is the InChIKey of 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is NCRKTSBDDONJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c1-19(2)16(21)20-8-6-12(7-9-20)11-18-25(22,23)13-4-5-15(24-3)14(17)10-13/h4-5,10,12,18H,6-9,11H2,1-3H3.
What are the key properties of 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 119103274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).