N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide

C19H16F2N4O3S — CID 4793489

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)nc(C)n1
InChIInChI=1S/C19H16F2N4O3S/c1-11-9-18(23-12(2)22-11)25-29(27,28)15-6-4-14(5-7-15)24-19(26)16-8-3-13(20)10-17(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyZXHISWBSIMUVCQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.42
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide (PubChem CID 4793489) has the molecular formula C19H16F2N4O3S and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide
PubChem CID4793489
Molecular FormulaC19H16F2N4O3S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)nc(C)n1
InChIInChI=1S/C19H16F2N4O3S/c1-11-9-18(23-12(2)22-11)25-29(27,28)15-6-4-14(5-7-15)24-19(26)16-8-3-13(20)10-17(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyZXHISWBSIMUVCQ-UHFFFAOYSA-N
XLogP3.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
2,4-difluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 53257051
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
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
2,4-difluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122297586
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide (CID 4793489) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide?
The InChIKey is ZXHISWBSIMUVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3S/c1-11-9-18(23-12(2)22-11)25-29(27,28)15-6-4-14(5-7-15)24-19(26)16-8-3-13(20)10-17(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide has a molecular weight of 418.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 4793489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).