4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole

C15H13FN2O2S — CID 133058893

IUPAC4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
SMILESCc1ccc(S(=O)(=O)n2ncc3c(F)c(C)ccc32)cc1
InChIInChI=1S/C15H13FN2O2S/c1-10-3-6-12(7-4-10)21(19,20)18-14-8-5-11(2)15(16)13(14)9-17-18/h3-9H,1-2H3
InChIKeyOFTOPTMRLRHRBH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.03
Rot. Bonds2

About 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole

4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole (PubChem CID 133058893) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
PubChem CID133058893
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
SMILESCc1ccc(S(=O)(=O)n2ncc3c(F)c(C)ccc32)cc1
InChIInChI=1S/C15H13FN2O2S/c1-10-3-6-12(7-4-10)21(19,20)18-14-8-5-11(2)15(16)13(14)9-17-18/h3-9H,1-2H3
InChIKeyOFTOPTMRLRHRBH-UHFFFAOYSA-N
XLogP3.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.03
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-(4-methylphenyl)sulfonylindazole
CID 58137189
(2S)-2-N,2-N-dimethyl-3-[4-methyl-1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine
CID 166025550
(1S,2S,3S)-1-N',1-N',2-N,2-N,3-N,3-N-hexamethyl-3-[4-methyl-1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,1,2,3-tetramine
CID 171473103
(1S,15R)-13-chloro-7-(4-methylphenyl)sulfonyl-6,7-diazapentacyclo[13.2.1.01,12.03,11.04,8]octadeca-3(11),4(8),5,9,12-pentaen-14-one
CID 67110768
4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 121222470
N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine
CID 175122720
methyl (2S)-3-[4-methyl-1-(4-methylphenyl)sulfonylindazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 166025302
1-(benzenesulfonyl)indazol-4-amine
CID 88992667
2-(4-methylphenyl)sulfonylpyridazin-3-one
CID 144748375
5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole
CID 163698061
4-iodo-1-(4-methylphenyl)sulfonyl-5-(4-phenylphenyl)pyrazole
CID 164680523

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole?
The IUPAC name of 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole (CID 133058893) is 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole.
What is the SMILES notation for 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole?
The canonical SMILES for 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole is Cc1ccc(S(=O)(=O)n2ncc3c(F)c(C)ccc32)cc1.
What is the InChIKey of 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole?
The InChIKey is OFTOPTMRLRHRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-10-3-6-12(7-4-10)21(19,20)18-14-8-5-11(2)15(16)13(14)9-17-18/h3-9H,1-2H3.
What are the key properties of 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole?
4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole has a molecular weight of 304.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole is sourced from PubChem (CID 133058893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).