N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide

C20H22Cl2N2O3S — CID 58210963

IUPACN-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1)C1CCCCC1
InChIInChI=1S/C20H22Cl2N2O3S/c1-24(16-6-3-2-4-7-16)20(25)15-10-14(11-23-12-15)13-28(26,27)19-17(21)8-5-9-18(19)22/h5,8-12,16H,2-4,6-7,13H2,1H3
InChIKeyRMVWYEMEJJIJBR-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.77
Rot. Bonds5

About N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide

N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide (PubChem CID 58210963) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide
PubChem CID58210963
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC NameN-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1)C1CCCCC1
InChIInChI=1S/C20H22Cl2N2O3S/c1-24(16-6-3-2-4-7-16)20(25)15-10-14(11-23-12-15)13-28(26,27)19-17(21)8-5-9-18(19)22/h5,8-12,16H,2-4,6-7,13H2,1H3
InChIKeyRMVWYEMEJJIJBR-UHFFFAOYSA-N
XLogP4.77
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide (CID 58210963) is N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide is CN(C(=O)c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RMVWYEMEJJIJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-24(16-6-3-2-4-7-16)20(25)15-10-14(11-23-12-15)13-28(26,27)19-17(21)8-5-9-18(19)22/h5,8-12,16H,2-4,6-7,13H2,1H3.
What are the key properties of N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide?
N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 441.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 58210963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).