N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide

C15H20N4O2S — CID 84589423

IUPACN-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2cccc3c2CCN3C)c1
InChIInChI=1S/C15H20N4O2S/c1-11(2)19-9-15(16-10-19)22(20,21)17-13-5-4-6-14-12(13)7-8-18(14)3/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyMAAGRDUUPGNBSN-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.26
Rot. Bonds4

About N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 84589423) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID84589423
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2cccc3c2CCN3C)c1
InChIInChI=1S/C15H20N4O2S/c1-11(2)19-9-15(16-10-19)22(20,21)17-13-5-4-6-14-12(13)7-8-18(14)3/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyMAAGRDUUPGNBSN-UHFFFAOYSA-N
XLogP2.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 84589423) is N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)Nc2cccc3c2CCN3C)c1.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is MAAGRDUUPGNBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11(2)19-9-15(16-10-19)22(20,21)17-13-5-4-6-14-12(13)7-8-18(14)3/h4-6,9-11,17H,7-8H2,1-3H3.
What are the key properties of N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-4-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 84589423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).