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

C13H16N4O3S — CID 104818512

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H16N4O3S/c1-2-20-13-14-12(15-16-13)17-21(18,19)11-7-6-9-4-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyXLAXTJKPMRBXCL-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.49
Rot. Bonds5

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

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 104818512) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID104818512
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H16N4O3S/c1-2-20-13-14-12(15-16-13)17-21(18,19)11-7-6-9-4-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyXLAXTJKPMRBXCL-UHFFFAOYSA-N
XLogP1.49
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
CID 113456582
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
CID 104818665
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 166374396
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 75384389

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 104818512) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is CCOc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is XLAXTJKPMRBXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-2-20-13-14-12(15-16-13)17-21(18,19)11-7-6-9-4-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 104818512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).