N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide

C11H13BrN4O2S — CID 126837841

IUPACN-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nccc(C)c2Br)cn1
InChIInChI=1S/C11H13BrN4O2S/c1-3-16-7-9(6-14-16)19(17,18)15-11-10(12)8(2)4-5-13-11/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyCRQAOGQEACVXAD-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.17
Rot. Bonds4

About N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide

N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 126837841) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID126837841
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC NameN-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nccc(C)c2Br)cn1
InChIInChI=1S/C11H13BrN4O2S/c1-3-16-7-9(6-14-16)19(17,18)15-11-10(12)8(2)4-5-13-11/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyCRQAOGQEACVXAD-UHFFFAOYSA-N
XLogP2.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 126841204
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 167927169
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide
CID 84597084
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-ethyl-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-sulfonamide
CID 53190705
N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
CID 71998050

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide (CID 126837841) is N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2nccc(C)c2Br)cn1.
What is the InChIKey of N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is CRQAOGQEACVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-3-16-7-9(6-14-16)19(17,18)15-11-10(12)8(2)4-5-13-11/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide?
N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126837841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).