1,2-dimethylindole-3-sulfonyl fluoride

C10H10FNO2S — CID 82287934

IUPAC1,2-dimethylindole-3-sulfonyl fluoride
SMILESCc1c(S(=O)(=O)F)c2ccccc2n1C
InChIInChI=1S/C10H10FNO2S/c1-7-10(15(11,13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKeyVTKZLOKCDJNIEH-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.14
Rot. Bonds1

About 1,2-dimethylindole-3-sulfonyl fluoride

1,2-dimethylindole-3-sulfonyl fluoride (PubChem CID 82287934) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 1,2-dimethylindole-3-sulfonyl fluoride.

Molecular Properties

Compound Name1,2-dimethylindole-3-sulfonyl fluoride
PubChem CID82287934
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name1,2-dimethylindole-3-sulfonyl fluoride
SMILESCc1c(S(=O)(=O)F)c2ccccc2n1C
InChIInChI=1S/C10H10FNO2S/c1-7-10(15(11,13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKeyVTKZLOKCDJNIEH-UHFFFAOYSA-N
XLogP2.14
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
1,2-dimethylindole-3-sulfonic acid;pyridin-1-ium
CID 160523045
(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
CID 120999176
5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline
CID 57152903
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
2-[(1,2-dimethylindol-3-yl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072175
2-[(1,2-dimethylindol-3-yl)sulfonyl-methylamino]propanoic acid
CID 122069004
1-methyl-2,3-bis(methylsulfonyl)indole
CID 15113358
ethane;1,2,3-trimethylindole
CID 91590745
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
2-[(1,2-dimethylindol-3-yl)sulfonyl-propylamino]acetic acid
CID 122071246
3-iodo-1,2-dimethylindole
CID 19093282

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindole-3-sulfonyl fluoride?
The IUPAC name of 1,2-dimethylindole-3-sulfonyl fluoride (CID 82287934) is 1,2-dimethylindole-3-sulfonyl fluoride.
What is the SMILES notation for 1,2-dimethylindole-3-sulfonyl fluoride?
The canonical SMILES for 1,2-dimethylindole-3-sulfonyl fluoride is Cc1c(S(=O)(=O)F)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethylindole-3-sulfonyl fluoride?
The InChIKey is VTKZLOKCDJNIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c1-7-10(15(11,13)14)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3.
What are the key properties of 1,2-dimethylindole-3-sulfonyl fluoride?
1,2-dimethylindole-3-sulfonyl fluoride has a molecular weight of 227.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindole-3-sulfonyl fluoride is sourced from PubChem (CID 82287934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).