N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide

C17H20N4O4S — CID 167847330

IUPACN-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2nn(C)c(=O)n2C)c2ccccc12
InChIInChI=1S/C17H20N4O4S/c1-11(2)25-14-9-10-15(13-8-6-5-7-12(13)14)26(23,24)19-16-18-21(4)17(22)20(16)3/h5-11H,1-4H3,(H,18,19)
InChIKeyUDORSNCLZJYVJB-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.86
Rot. Bonds5

About N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide

N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide (PubChem CID 167847330) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide
PubChem CID167847330
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2nn(C)c(=O)n2C)c2ccccc12
InChIInChI=1S/C17H20N4O4S/c1-11(2)25-14-9-10-15(13-8-6-5-7-12(13)14)26(23,24)19-16-18-21(4)17(22)20(16)3/h5-11H,1-4H3,(H,18,19)
InChIKeyUDORSNCLZJYVJB-UHFFFAOYSA-N
XLogP1.86
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide?
The IUPAC name of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide (CID 167847330) is N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2nn(C)c(=O)n2C)c2ccccc12.
What is the InChIKey of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide?
The InChIKey is UDORSNCLZJYVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-11(2)25-14-9-10-15(13-8-6-5-7-12(13)14)26(23,24)19-16-18-21(4)17(22)20(16)3/h5-11H,1-4H3,(H,18,19).
What are the key properties of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide?
N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-4-propan-2-yloxynaphthalene-1-sulfonamide is sourced from PubChem (CID 167847330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).