N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide

C28H24F8N2O3S — CID 118218922

IUPACN-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H24F8N2O3S/c1-38(24(39)18-3-2-16-37-17-18)22-12-14-25(15-13-22,42(40,41)23-10-8-21(29)9-11-23)19-4-6-20(7-5-19)26(30,27(31,32)33)28(34,35)36/h2-11,16-17,22H,12-15H2,1H3
InChIKeyMYOIIBACKAKHHH-UHFFFAOYSA-N
MW620.56 g/mol
LogP6.89
Rot. Bonds6

About N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide

N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide (PubChem CID 118218922) has the molecular formula C28H24F8N2O3S and a molecular weight of 620.56 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide
PubChem CID118218922
Molecular FormulaC28H24F8N2O3S
Molecular Weight620.56 g/mol
Exact Mass620.14
IUPAC NameN-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H24F8N2O3S/c1-38(24(39)18-3-2-16-37-17-18)22-12-14-25(15-13-22,42(40,41)23-10-8-21(29)9-11-23)19-4-6-20(7-5-19)26(30,27(31,32)33)28(34,35)36/h2-11,16-17,22H,12-15H2,1H3
InChIKeyMYOIIBACKAKHHH-UHFFFAOYSA-N
XLogP6.89
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.56
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-(1-Isonicotinoylpiperidin-4-yl)-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 46229366
[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 70683379
[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]methanone
CID 70695996
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)-3-pyridinyl]methyl]benzamide
CID 73353940
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155540254
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155546609
N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155564220
US10385022, Example 214
CID 68204305
US10385022, Example 215
CID 86670804
N-((2R,4R)-4-(4-fluorophenylsulfonyl)-2-methyl-4-(4-(perfluoropropan-2-yl)phenyl)cyclohexyl)-2-(pyridin-4-yl)acetamide
CID 118209362
[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 118217605

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide (CID 118218922) is N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1)C1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MYOIIBACKAKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F8N2O3S/c1-38(24(39)18-3-2-16-37-17-18)22-12-14-25(15-13-22,42(40,41)23-10-8-21(29)9-11-23)19-4-6-20(7-5-19)26(30,27(31,32)33)28(34,35)36/h2-11,16-17,22H,12-15H2,1H3.
What are the key properties of N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide?
N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide has a molecular weight of 620.56 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 118218922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).