N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

C14H18N4O2S — CID 61480854

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N4O2S/c1-11(9-18-7-6-15-10-18)17-21(19,20)13-2-3-14-12(8-13)4-5-16-14/h2-3,6-8,10-11,16-17H,4-5,9H2,1H3
InChIKeyVRTQTJJDERTGEK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.22
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 61480854) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID61480854
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N4O2S/c1-11(9-18-7-6-15-10-18)17-21(19,20)13-2-3-14-12(8-13)4-5-16-14/h2-3,6-8,10-11,16-17H,4-5,9H2,1H3
InChIKeyVRTQTJJDERTGEK-UHFFFAOYSA-N
XLogP1.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 61480854) is N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is VRTQTJJDERTGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11(9-18-7-6-15-10-18)17-21(19,20)13-2-3-14-12(8-13)4-5-16-14/h2-3,6-8,10-11,16-17H,4-5,9H2,1H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 61480854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).