N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide

C15H16N2O3S — CID 51098143

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESCc1noc(C)c1NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C15H16N2O3S/c1-10-15(11(2)20-16-10)17-21(18,19)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,9,17H,7-8H2,1-2H3
InChIKeyLMJCEXOUDYMKLC-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.02
Rot. Bonds3

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 51098143) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID51098143
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESCc1noc(C)c1NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C15H16N2O3S/c1-10-15(11(2)20-16-10)17-21(18,19)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,9,17H,7-8H2,1-2H3
InChIKeyLMJCEXOUDYMKLC-UHFFFAOYSA-N
XLogP3.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
N-cyclohexyl-3,4-dihydronaphthalene-2-sulfonamide
CID 18190615
methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 17465245
methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
CID 46594227
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
CID 39912433
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24663378
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
CID 18194280
N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide
CID 129397398
ethyl (E)-2-cyano-3-[2-(3,4-dihydronaphthalen-2-ylsulfonylamino)anilino]prop-2-enoate
CID 18268064
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
CID 60602780
N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 75458356

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide (CID 51098143) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide is Cc1noc(C)c1NS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is LMJCEXOUDYMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-15(11(2)20-16-10)17-21(18,19)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 51098143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).