1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide

C17H22N4O2S — CID 56861583

IUPAC1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cn(C)c(C)n2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H22N4O2S/c1-10-6-14(17-15(7-10)11(2)12(3)19-17)8-18-24(22,23)16-9-21(5)13(4)20-16/h6-7,9,18-19H,8H2,1-5H3
InChIKeyIXCCEUGTJJJNHA-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.61
Rot. Bonds4

About 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide (PubChem CID 56861583) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide
PubChem CID56861583
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cn(C)c(C)n2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H22N4O2S/c1-10-6-14(17-15(7-10)11(2)12(3)19-17)8-18-24(22,23)16-9-21(5)13(4)20-16/h6-7,9,18-19H,8H2,1-5H3
InChIKeyIXCCEUGTJJJNHA-UHFFFAOYSA-N
XLogP2.61
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide (CID 56861583) is 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide is Cc1cc(CNS(=O)(=O)c2cn(C)c(C)n2)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is IXCCEUGTJJJNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-6-14(17-15(7-10)11(2)12(3)19-17)8-18-24(22,23)16-9-21(5)13(4)20-16/h6-7,9,18-19H,8H2,1-5H3.
What are the key properties of 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 56861583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).