3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide

C20H17N5O3S — CID 2095364

IUPAC3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)nc(C)n1
InChIInChI=1S/C20H17N5O3S/c1-13-10-19(23-14(2)22-13)25-29(27,28)18-8-6-17(7-9-18)24-20(26)16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPDSOWFKUGQOTRN-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.02
Rot. Bonds5

About 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide

3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 2095364) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID2095364
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)nc(C)n1
InChIInChI=1S/C20H17N5O3S/c1-13-10-19(23-14(2)22-13)25-29(27,28)18-8-6-17(7-9-18)24-20(26)16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPDSOWFKUGQOTRN-UHFFFAOYSA-N
XLogP3.02
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 2443855
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 2206745
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 2095364) is 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)nc(C)n1.
What is the InChIKey of 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is PDSOWFKUGQOTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-13-10-19(23-14(2)22-13)25-29(27,28)18-8-6-17(7-9-18)24-20(26)16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 407.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2095364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).