3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

C20H19N3O3S — CID 1078179

IUPAC3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C20H19N3O3S/c1-14-6-7-16(13-15(14)2)20(24)22-17-8-10-18(11-9-17)27(25,26)23-19-5-3-4-12-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24)
InChIKeyQEZAODJQOSNRED-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds5

About 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1078179) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1078179
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C20H19N3O3S/c1-14-6-7-16(13-15(14)2)20(24)22-17-8-10-18(11-9-17)27(25,26)23-19-5-3-4-12-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24)
InChIKeyQEZAODJQOSNRED-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 30396142
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 28635441
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-methyl-3-oxo-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 162520983
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (CID 1078179) is 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is QEZAODJQOSNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-6-7-16(13-15(14)2)20(24)22-17-8-10-18(11-9-17)27(25,26)23-19-5-3-4-12-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1078179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).