N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H17F3N6O3S — CID 19477450

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)nn3C)cc2)n1
InChIInChI=1S/C18H17F3N6O3S/c1-10-8-11(2)23-17(22-10)26-31(29,30)13-6-4-12(5-7-13)24-16(28)14-9-15(18(19,20)21)25-27(14)3/h4-9H,1-3H3,(H,24,28)(H,22,23,26)
InChIKeyYUACQHPFIIYLHJ-UHFFFAOYSA-N
MW454.43 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19477450) has the molecular formula C18H17F3N6O3S and a molecular weight of 454.43 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19477450
Molecular FormulaC18H17F3N6O3S
Molecular Weight454.43 g/mol
Exact Mass454.10
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)nn3C)cc2)n1
InChIInChI=1S/C18H17F3N6O3S/c1-10-8-11(2)23-17(22-10)26-31(29,30)13-6-4-12(5-7-13)24-16(28)14-9-15(18(19,20)21)25-27(14)3/h4-9H,1-3H3,(H,24,28)(H,22,23,26)
InChIKeyYUACQHPFIIYLHJ-UHFFFAOYSA-N
XLogP2.90
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266109
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451479
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19532404
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267893

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19477450) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)nn3C)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YUACQHPFIIYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3S/c1-10-8-11(2)23-17(22-10)26-31(29,30)13-6-4-12(5-7-13)24-16(28)14-9-15(18(19,20)21)25-27(14)3/h4-9H,1-3H3,(H,24,28)(H,22,23,26).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19477450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).