6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide

C26H25ClF2N2O3S — CID 23114700

IUPAC6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C26H25ClF2N2O3S/c1-16-2-8-20(9-3-16)31-26(32)17-4-13-24(30-15-17)25(22-14-19(28)7-12-23(22)29)35(33,34)21-10-5-18(27)6-11-21/h4-7,10-16,20,25H,2-3,8-9H2,1H3,(H,31,32)
InChIKeySOJGKIINHXHRBY-UHFFFAOYSA-N
MW519.01 g/mol
LogP5.89
Rot. Bonds6

About 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide

6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 23114700) has the molecular formula C26H25ClF2N2O3S and a molecular weight of 519.01 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID23114700
Molecular FormulaC26H25ClF2N2O3S
Molecular Weight519.01 g/mol
Exact Mass518.12
IUPAC Name6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C26H25ClF2N2O3S/c1-16-2-8-20(9-3-16)31-26(32)17-4-13-24(30-15-17)25(22-14-19(28)7-12-23(22)29)35(33,34)21-10-5-18(27)6-11-21/h4-7,10-16,20,25H,2-3,8-9H2,1H3,(H,31,32)
InChIKeySOJGKIINHXHRBY-UHFFFAOYSA-N
XLogP5.89
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.01
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
CID 70690881
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide
CID 18378784
N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
CID 18378797
N-[3-chloro-4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285807
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-pyridin-2-ylsulfanylethyl)benzamide
CID 2240335
4-{[(4-chlorophenyl)sulfonyl](methyl)amino}-N-(pyridin-2-ylmethyl)benzamide
CID 2970137
[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-[(5-chloro-2-ethylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 72195213
2-chloro-N-(3-cyclopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)propyl)-5-(methyl sulfonyl)benzamide
CID 73673186
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-4-(pyridin-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 89879796

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide (CID 23114700) is 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide is CC1CCC(NC(=O)c2ccc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)nc2)CC1.
What is the InChIKey of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is SOJGKIINHXHRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N2O3S/c1-16-2-8-20(9-3-16)31-26(32)17-4-13-24(30-15-17)25(22-14-19(28)7-12-23(22)29)35(33,34)21-10-5-18(27)6-11-21/h4-7,10-16,20,25H,2-3,8-9H2,1H3,(H,31,32).
What are the key properties of 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 519.01 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 23114700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).