N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide

C14H18N4O2S — CID 51079164

IUPACN-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N4O2S/c19-21(20,17-7-2-8-18-11-15-10-16-18)14-6-5-12-3-1-4-13(12)9-14/h5-6,9-11,17H,1-4,7-8H2
InChIKeyZIMPIAIMGFDXEQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.14
Rot. Bonds6

About N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 51079164) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID51079164
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N4O2S/c19-21(20,17-7-2-8-18-11-15-10-16-18)14-6-5-12-3-1-4-13(12)9-14/h5-6,9-11,17H,1-4,7-8H2
InChIKeyZIMPIAIMGFDXEQ-UHFFFAOYSA-N
XLogP1.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 51079164) is N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is ZIMPIAIMGFDXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,17-7-2-8-18-11-15-10-16-18)14-6-5-12-3-1-4-13(12)9-14/h5-6,9-11,17H,1-4,7-8H2.
What are the key properties of N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 51079164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).