4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide

C17H17BrN6O3S — CID 19262698

IUPAC4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)cc3Br)cc2)n1
InChIInChI=1S/C17H17BrN6O3S/c1-10-8-11(2)20-17(19-10)23-28(26,27)13-6-4-12(5-7-13)21-16(25)15-14(18)9-24(3)22-15/h4-9H,1-3H3,(H,21,25)(H,19,20,23)
InChIKeyNJYLCBUIWCSAJK-UHFFFAOYSA-N
MW465.33 g/mol
LogP2.64
Rot. Bonds5

About 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262698) has the molecular formula C17H17BrN6O3S and a molecular weight of 465.33 g/mol. Its IUPAC name is 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19262698
Molecular FormulaC17H17BrN6O3S
Molecular Weight465.33 g/mol
Exact Mass464.03
IUPAC Name4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)cc3Br)cc2)n1
InChIInChI=1S/C17H17BrN6O3S/c1-10-8-11(2)20-17(19-10)23-28(26,27)13-6-4-12(5-7-13)21-16(25)15-14(18)9-24(3)22-15/h4-9H,1-3H3,(H,21,25)(H,19,20,23)
InChIKeyNJYLCBUIWCSAJK-UHFFFAOYSA-N
XLogP2.64
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 52.64
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
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462048
4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
CID 3572333
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477450
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19271640
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19538080
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide (CID 19262698) is 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)cc3Br)cc2)n1.
What is the InChIKey of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is NJYLCBUIWCSAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O3S/c1-10-8-11(2)20-17(19-10)23-28(26,27)13-6-4-12(5-7-13)21-16(25)15-14(18)9-24(3)22-15/h4-9H,1-3H3,(H,21,25)(H,19,20,23).
What are the key properties of 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 465.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).