5-bromo-1-(4-methylphenyl)sulfonylindazole

C14H11BrN2O2S — CID 58137189

IUPAC5-bromo-1-(4-methylphenyl)sulfonylindazole
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-2-5-13(6-3-10)20(18,19)17-14-7-4-12(15)8-11(14)9-16-17/h2-9H,1H3
InChIKeyBYPKUFOWXIYICX-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.34
Rot. Bonds2

About 5-bromo-1-(4-methylphenyl)sulfonylindazole

5-bromo-1-(4-methylphenyl)sulfonylindazole (PubChem CID 58137189) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylindazole.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylindazole
PubChem CID58137189
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylindazole
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-2-5-13(6-3-10)20(18,19)17-14-7-4-12(15)8-11(14)9-16-17/h2-9H,1H3
InChIKeyBYPKUFOWXIYICX-UHFFFAOYSA-N
XLogP3.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-(4-methylphenyl)sulfonylindazole
CID 132915435
5-bromo-1-methylsulfonylindazole
CID 167427897
N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine
CID 175122720
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole
CID 163698061
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125
4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
CID 133058893
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
1-(benzenesulfonyl)-5-iodoindazole
CID 139270118
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-6-yl]propane-1,2-diamine
CID 166025357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylindazole?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylindazole (CID 58137189) is 5-bromo-1-(4-methylphenyl)sulfonylindazole.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylindazole?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylindazole is Cc1ccc(S(=O)(=O)n2ncc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylindazole?
The InChIKey is BYPKUFOWXIYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-10-2-5-13(6-3-10)20(18,19)17-14-7-4-12(15)8-11(14)9-16-17/h2-9H,1H3.
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylindazole?
5-bromo-1-(4-methylphenyl)sulfonylindazole has a molecular weight of 351.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonylindazole is sourced from PubChem (CID 58137189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).