N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide

C15H16N4O2S2 — CID 99714751

IUPACN-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
SMILESCC(C)Sc1n[nH]c(NS(=O)(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H16N4O2S2/c1-10(2)22-15-16-14(17-18-15)19-23(20,21)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyNDQKUTFGOJTFPB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.26
Rot. Bonds5

About N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide

N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 99714751) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
PubChem CID99714751
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
SMILESCC(C)Sc1n[nH]c(NS(=O)(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H16N4O2S2/c1-10(2)22-15-16-14(17-18-15)19-23(20,21)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyNDQKUTFGOJTFPB-UHFFFAOYSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide (CID 99714751) is N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide is CC(C)Sc1n[nH]c(NS(=O)(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is NDQKUTFGOJTFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-10(2)22-15-16-14(17-18-15)19-23(20,21)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide?
N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 99714751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).