4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole

C11H10Br2N2O2S — CID 22200680

IUPAC4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Br
InChIInChI=1S/C11H10Br2N2O2S/c1-7-11(13)8(2)15(14-7)18(16,17)10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKeyVCHMDZGWDZVDLY-UHFFFAOYSA-N
MW394.09 g/mol
LogP3.26
Rot. Bonds2

About 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole

4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 22200680) has the molecular formula C11H10Br2N2O2S and a molecular weight of 394.09 g/mol. Its IUPAC name is 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID22200680
Molecular FormulaC11H10Br2N2O2S
Molecular Weight394.09 g/mol
Exact Mass391.88
IUPAC Name4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Br
InChIInChI=1S/C11H10Br2N2O2S/c1-7-11(13)8(2)15(14-7)18(16,17)10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKeyVCHMDZGWDZVDLY-UHFFFAOYSA-N
XLogP3.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 22579049
4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 22200710
(3R)-1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-3-methylpiperidine
CID 40813565
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
4-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 980507
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
2-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine
CID 2820405
1-(4-bromophenyl)sulfonyl-3-methoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 42727518
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]ethyl acetate
CID 4517592
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
CID 23731442
3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 170537963

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole (CID 22200680) is 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Br.
What is the InChIKey of 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is VCHMDZGWDZVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2S/c1-7-11(13)8(2)15(14-7)18(16,17)10-5-3-9(12)4-6-10/h3-6H,1-2H3.
What are the key properties of 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 394.09 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 22200680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).