3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C19H18N4O3S — CID 2597997

IUPAC3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
InChIInChI=1S/C19H18N4O3S/c1-13-10-14(2)12-15(11-13)18(24)22-16-4-6-17(7-5-16)27(25,26)23-19-20-8-3-9-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyRZZFRKRJKGSHNI-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.15
Rot. Bonds5

About 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2597997) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2597997
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
InChIInChI=1S/C19H18N4O3S/c1-13-10-14(2)12-15(11-13)18(24)22-16-4-6-17(7-5-16)27(25,26)23-19-20-8-3-9-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyRZZFRKRJKGSHNI-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
(2R)-2-(3,5-dimethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1305241
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 26912608
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 2597997) is 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is RZZFRKRJKGSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-13-10-14(2)12-15(11-13)18(24)22-16-4-6-17(7-5-16)27(25,26)23-19-20-8-3-9-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 382.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2597997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).