N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide

C12H10N4O2S — CID 3836980

IUPACN-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1cccc2ccccc12
InChIInChI=1S/C12H10N4O2S/c17-19(18,16-12-13-8-14-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,13,14,15,16)
InChIKeyHIQWBCPUDMZEGH-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.76
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide

N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 3836980) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
PubChem CID3836980
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1cccc2ccccc12
InChIInChI=1S/C12H10N4O2S/c17-19(18,16-12-13-8-14-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,13,14,15,16)
InChIKeyHIQWBCPUDMZEGH-UHFFFAOYSA-N
XLogP1.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.76
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)naphthalene-1-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide (CID 3836980) is N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ncn[nH]1)c1cccc2ccccc12.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is HIQWBCPUDMZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-19(18,16-12-13-8-14-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,13,14,15,16).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.76, 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)naphthalene-1-sulfonamide is sourced from PubChem (CID 3836980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).