N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C12H14N4O2S — CID 35539705

IUPACN-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14N4O2S/c17-19(18,16-12-13-8-14-15-12)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,13,14,15,16)
InChIKeyRGPNADAGMQOFRD-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.48
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 35539705) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID35539705
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14N4O2S/c17-19(18,16-12-13-8-14-15-12)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,13,14,15,16)
InChIKeyRGPNADAGMQOFRD-UHFFFAOYSA-N
XLogP1.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 35539705) is N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ncn[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is RGPNADAGMQOFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-19(18,16-12-13-8-14-15-12)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,13,14,15,16).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.48, 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)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 35539705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).