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

C12H14N4O2S — CID 71917726

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H14N4O2S/c1-16-12(13-8-14-16)15-19(17,18)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,13,14,15)
InChIKeySVXHRVCWXFNUTD-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.10
Rot. Bonds3

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

N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 71917726) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID71917726
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H14N4O2S/c1-16-12(13-8-14-16)15-19(17,18)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,13,14,15)
InChIKeySVXHRVCWXFNUTD-UHFFFAOYSA-N
XLogP1.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
4-(4-bromophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 86814375
4-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)-3-nitrobenzenesulfonamide
CID 80708724
3-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)-4-nitrobenzenesulfonamide
CID 82843001
2-iodo-5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]benzoic acid
CID 103962635
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154765958
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 71917726) is N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is Cn1ncnc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is SVXHRVCWXFNUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16-12(13-8-14-16)15-19(17,18)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 71917726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).