1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole

C12H13N3O2S — CID 3244439

IUPAC1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H13N3O2S/c1-9-6-10-4-2-3-5-11(10)15(9)18(16,17)12-7-13-8-14-12/h2-5,7-9H,6H2,1H3,(H,13,14)
InChIKeyCDSIYUDAPKGJHN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.55
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole

1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole (PubChem CID 3244439) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole
PubChem CID3244439
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H13N3O2S/c1-9-6-10-4-2-3-5-11(10)15(9)18(16,17)12-7-13-8-14-12/h2-5,7-9H,6H2,1H3,(H,13,14)
InChIKeyCDSIYUDAPKGJHN-UHFFFAOYSA-N
XLogP1.55
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole (CID 3244439) is 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole?
The InChIKey is CDSIYUDAPKGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-6-10-4-2-3-5-11(10)15(9)18(16,17)12-7-13-8-14-12/h2-5,7-9H,6H2,1H3,(H,13,14).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole?
1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole has a molecular weight of 263.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 3244439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).