5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide

C21H31FN2O3S — CID 4621994

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC3CCCCC3C)c2)C1
InChIInChI=1S/C21H31FN2O3S/c1-14-10-15(2)13-24(12-14)28(26,27)17-8-9-19(22)18(11-17)21(25)23-20-7-5-4-6-16(20)3/h8-9,11,14-16,20H,4-7,10,12-13H2,1-3H3,(H,23,25)
InChIKeyBOVFHXZLTHJRFX-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.80
Rot. Bonds4

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide (PubChem CID 4621994) has the molecular formula C21H31FN2O3S and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
PubChem CID4621994
Molecular FormulaC21H31FN2O3S
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC3CCCCC3C)c2)C1
InChIInChI=1S/C21H31FN2O3S/c1-14-10-15(2)13-24(12-14)28(26,27)17-8-9-19(22)18(11-17)21(25)23-20-7-5-4-6-16(20)3/h8-9,11,14-16,20H,4-7,10,12-13H2,1-3H3,(H,23,25)
InChIKeyBOVFHXZLTHJRFX-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577985
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluorobenzoic acid
CID 79188553
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3893462
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479356
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide (CID 4621994) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC3CCCCC3C)c2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide?
The InChIKey is BOVFHXZLTHJRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O3S/c1-14-10-15(2)13-24(12-14)28(26,27)17-8-9-19(22)18(11-17)21(25)23-20-7-5-4-6-16(20)3/h8-9,11,14-16,20H,4-7,10,12-13H2,1-3H3,(H,23,25).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide has a molecular weight of 410.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 4621994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).