N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide

C21H19ClFN3O3S — CID 55889987

IUPACN-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C21H19ClFN3O3S/c1-25(2)30(28,29)20-13-15(6-11-19(20)23)21(27)26(14-17-5-3-4-12-24-17)18-9-7-16(22)8-10-18/h3-13H,14H2,1-2H3
InChIKeyPCAPRRCJWDDXNV-UHFFFAOYSA-N
MW447.92 g/mol
LogP3.97
Rot. Bonds6

About N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide

N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55889987) has the molecular formula C21H19ClFN3O3S and a molecular weight of 447.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55889987
Molecular FormulaC21H19ClFN3O3S
Molecular Weight447.92 g/mol
Exact Mass447.08
IUPAC NameN-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C21H19ClFN3O3S/c1-25(2)30(28,29)20-13-15(6-11-19(20)23)21(27)26(14-17-5-3-4-12-24-17)18-9-7-16(22)8-10-18/h3-13H,14H2,1-2H3
InChIKeyPCAPRRCJWDDXNV-UHFFFAOYSA-N
XLogP3.97
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60533673
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55888701
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55890240
4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 166407045
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide (CID 55889987) is N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PCAPRRCJWDDXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O3S/c1-25(2)30(28,29)20-13-15(6-11-19(20)23)21(27)26(14-17-5-3-4-12-24-17)18-9-7-16(22)8-10-18/h3-13H,14H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide?
N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 447.92 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55889987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).