1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole

C11H10BrClN2O2S — CID 21204019

IUPAC1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C11H10BrClN2O2S/c1-7-5-8(2)15(14-7)18(16,17)11-6-9(13)3-4-10(11)12/h3-6H,1-2H3
InChIKeyGHWPAQGXSVNMIA-UHFFFAOYSA-N
MW349.64 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole

1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 21204019) has the molecular formula C11H10BrClN2O2S and a molecular weight of 349.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID21204019
Molecular FormulaC11H10BrClN2O2S
Molecular Weight349.64 g/mol
Exact Mass347.93
IUPAC Name1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C11H10BrClN2O2S/c1-7-5-8(2)15(14-7)18(16,17)11-6-9(13)3-4-10(11)12/h3-6H,1-2H3
InChIKeyGHWPAQGXSVNMIA-UHFFFAOYSA-N
XLogP3.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.64
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 3647844
1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 3655474
1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 39730131
1-(4-chloro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 738644
1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole
CID 138046156
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
2-bromo-5-chloro-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]aniline
CID 81281056
1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 19683528
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 39854116
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole (CID 21204019) is 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Br)n1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is GHWPAQGXSVNMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S/c1-7-5-8(2)15(14-7)18(16,17)11-6-9(13)3-4-10(11)12/h3-6H,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole?
1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 349.64 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 21204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).