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

C13H15N3O2S — CID 20958624

IUPAC2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H15N3O2S/c1-10-7-11-5-3-4-6-12(11)16(10)19(17,18)13-8-15(2)9-14-13/h3-6,8-10H,7H2,1-2H3
InChIKeyCSLGPWMJBDNKID-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds2

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

2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole (PubChem CID 20958624) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
PubChem CID20958624
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H15N3O2S/c1-10-7-11-5-3-4-6-12(11)16(10)19(17,18)13-8-15(2)9-14-13/h3-6,8-10H,7H2,1-2H3
InChIKeyCSLGPWMJBDNKID-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]imidazol-4-amine
CID 63977911
2-methyl-4-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 71971923
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 51126282
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 27332586
4-[(2R,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 100858977
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole (CID 20958624) is 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is CSLGPWMJBDNKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-7-11-5-3-4-6-12(11)16(10)19(17,18)13-8-15(2)9-14-13/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 277.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 20958624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).