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

C11H12N4O2S — CID 39854348

IUPACN-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H12N4O2S/c16-18(17,15-11-12-7-13-14-11)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,12,13,14,15)
InChIKeyPUQYATJFJCGFEF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.09
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 39854348) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID39854348
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H12N4O2S/c16-18(17,15-11-12-7-13-14-11)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,12,13,14,15)
InChIKeyPUQYATJFJCGFEF-UHFFFAOYSA-N
XLogP1.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
3,5-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152036
3-fluoro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 82854963
N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 71917726
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154765958
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
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-1H-pyrazole-4-carbothioamide
CID 79497738
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 166374396
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944136
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 39854348) is N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ncn[nH]1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PUQYATJFJCGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-18(17,15-11-12-7-13-14-11)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,12,13,14,15).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 39854348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).