2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide

C14H12N4O3S — CID 3938080

IUPAC2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)Nn1cnnc1
InChIInChI=1S/C14H12N4O3S/c19-14(17-18-9-15-16-10-18)8-22(20,21)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10H,8H2,(H,17,19)
InChIKeyHTLWYWPBVJDWFC-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.98
Rot. Bonds4

About 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide

2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 3938080) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID3938080
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)Nn1cnnc1
InChIInChI=1S/C14H12N4O3S/c19-14(17-18-9-15-16-10-18)8-22(20,21)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10H,8H2,(H,17,19)
InChIKeyHTLWYWPBVJDWFC-UHFFFAOYSA-N
XLogP0.98
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 1041797
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3404538
2-(2-phenylprop-2-enylsulfonyl)naphthalene
CID 14925064
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 3879904

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide (CID 3938080) is 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide is O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nn1cnnc1.
What is the InChIKey of 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is HTLWYWPBVJDWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c19-14(17-18-9-15-16-10-18)8-22(20,21)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10H,8H2,(H,17,19).
What are the key properties of 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide?
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 3938080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).