3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C20H20N4O3S — CID 1150954

IUPAC3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1
InChIInChI=1S/C20H20N4O3S/c1-13-4-5-16(12-14(13)2)19(25)23-17-6-8-18(9-7-17)28(26,27)24-20-21-11-10-15(3)22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyINKQTJIGAARALN-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.45
Rot. Bonds5

About 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1150954) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1150954
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1
InChIInChI=1S/C20H20N4O3S/c1-13-4-5-16(12-14(13)2)19(25)23-17-6-8-18(9-7-17)28(26,27)24-20-21-11-10-15(3)22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyINKQTJIGAARALN-UHFFFAOYSA-N
XLogP3.45
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1150954) is 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1.
What is the InChIKey of 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is INKQTJIGAARALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-4-5-16(12-14(13)2)19(25)23-17-6-8-18(9-7-17)28(26,27)24-20-21-11-10-15(3)22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1150954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).