1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole

C12H13N3O2S — CID 3237010

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCn1cnc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C12H13N3O2S/c1-14-8-12(13-9-14)18(16,17)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3
InChIKeyTWULPNZXIQBKLU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.17
Rot. Bonds2

About 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole

1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 3237010) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID3237010
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCn1cnc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C12H13N3O2S/c1-14-8-12(13-9-14)18(16,17)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3
InChIKeyTWULPNZXIQBKLU-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole (CID 3237010) is 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole is Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is TWULPNZXIQBKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-14-8-12(13-9-14)18(16,17)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 263.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3237010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).