1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide

C14H18N4O2S — CID 20756758

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cn(CC2=NCCN2)c2ccccc12
InChIInChI=1S/C14H18N4O2S/c1-17(2)21(19,20)13-9-18(10-14-15-7-8-16-14)12-6-4-3-5-11(12)13/h3-6,9H,7-8,10H2,1-2H3,(H,15,16)
InChIKeyQIHXCXSFZOEFEJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.89
Rot. Bonds4

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide (PubChem CID 20756758) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide
PubChem CID20756758
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cn(CC2=NCCN2)c2ccccc12
InChIInChI=1S/C14H18N4O2S/c1-17(2)21(19,20)13-9-18(10-14-15-7-8-16-14)12-6-4-3-5-11(12)13/h3-6,9H,7-8,10H2,1-2H3,(H,15,16)
InChIKeyQIHXCXSFZOEFEJ-UHFFFAOYSA-N
XLogP0.89
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide (CID 20756758) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide is CN(C)S(=O)(=O)c1cn(CC2=NCCN2)c2ccccc12.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide?
The InChIKey is QIHXCXSFZOEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17(2)21(19,20)13-9-18(10-14-15-7-8-16-14)12-6-4-3-5-11(12)13/h3-6,9H,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,N-dimethylindole-3-sulfonamide is sourced from PubChem (CID 20756758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).