N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C20H16ClN3O2S — CID 60539973

IUPACN-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN3O2S/c21-19-6-8-20(9-7-19)24(14-18-5-2-10-23-13-18)27(25,26)15-17-4-1-3-16(11-17)12-22/h1-11,13H,14-15H2
InChIKeyGHOJGMMRJCQTOT-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.14
Rot. Bonds6

About N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 60539973) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID60539973
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN3O2S/c21-19-6-8-20(9-7-19)24(14-18-5-2-10-23-13-18)27(25,26)15-17-4-1-3-16(11-17)12-22/h1-11,13H,14-15H2
InChIKeyGHOJGMMRJCQTOT-UHFFFAOYSA-N
XLogP4.14
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634284
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-[(3-chloro-4-fluorophenyl)sulfonylmethyl]benzonitrile
CID 63379331

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 60539973) is N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is GHOJGMMRJCQTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-19-6-8-20(9-7-19)24(14-18-5-2-10-23-13-18)27(25,26)15-17-4-1-3-16(11-17)12-22/h1-11,13H,14-15H2.
What are the key properties of N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 60539973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).