N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide

C19H27FN4O2S — CID 72930290

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C19H27FN4O2S/c1-22-15-19(12-21-22)27(25,26)23(2)13-17-4-3-10-24(14-17)11-9-16-5-7-18(20)8-6-16/h5-8,12,15,17H,3-4,9-11,13-14H2,1-2H3
InChIKeyOLCDRUQHUGOSQF-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.13
Rot. Bonds7

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 72930290) has the molecular formula C19H27FN4O2S and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID72930290
Molecular FormulaC19H27FN4O2S
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C19H27FN4O2S/c1-22-15-19(12-21-22)27(25,26)23(2)13-17-4-3-10-24(14-17)11-9-16-5-7-18(20)8-6-16/h5-8,12,15,17H,3-4,9-11,13-14H2,1-2H3
InChIKeyOLCDRUQHUGOSQF-UHFFFAOYSA-N
XLogP2.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 56836673
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 72930290) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide is CN(CC1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is OLCDRUQHUGOSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2S/c1-22-15-19(12-21-22)27(25,26)23(2)13-17-4-3-10-24(14-17)11-9-16-5-7-18(20)8-6-16/h5-8,12,15,17H,3-4,9-11,13-14H2,1-2H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 72930290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).