4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide

C10H8BrF3N4O2S — CID 100715936

IUPAC4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide
SMILESCn1ncc(Br)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H8BrF3N4O2S/c1-18-9(7(11)5-16-18)21(19,20)17-8-4-6(2-3-15-8)10(12,13)14/h2-5H,1H3,(H,15,17)
InChIKeyDCQPXTVDOGBQFE-UHFFFAOYSA-N
MW385.17 g/mol
LogP2.40
Rot. Bonds3

About 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide

4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide (PubChem CID 100715936) has the molecular formula C10H8BrF3N4O2S and a molecular weight of 385.17 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide
PubChem CID100715936
Molecular FormulaC10H8BrF3N4O2S
Molecular Weight385.17 g/mol
Exact Mass383.95
IUPAC Name4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide
SMILESCn1ncc(Br)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H8BrF3N4O2S/c1-18-9(7(11)5-16-18)21(19,20)17-8-4-6(2-3-15-8)10(12,13)14/h2-5H,1H3,(H,15,17)
InChIKeyDCQPXTVDOGBQFE-UHFFFAOYSA-N
XLogP2.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286007
N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914762
4-fluoro-N-(5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl)benzenesulfonamide
CID 176453091
N-(5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 176453149
[(1,3-Dimethylpyrazol-4-yl)sulfonyl]-2-pyridylamine
CID 17375852
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 45822461
3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-sulfonohydrazide
CID 45840750
1-methyl-N-(5-phenyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 72138236
N-(2-(3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)ethyl)-2,6-difluorobenzenesulfonamide
CID 91816618
N-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine-3-sulfonamide
CID 127267507

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide?
The IUPAC name of 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide (CID 100715936) is 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide?
The canonical SMILES for 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide is Cn1ncc(Br)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide?
The InChIKey is DCQPXTVDOGBQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4O2S/c1-18-9(7(11)5-16-18)21(19,20)17-8-4-6(2-3-15-8)10(12,13)14/h2-5H,1H3,(H,15,17).
What are the key properties of 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide?
4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide has a molecular weight of 385.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide is sourced from PubChem (CID 100715936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).