N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide

C16H17N3O3S — CID 35527308

IUPACN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide
SMILESCCN(Cc1nonc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O3S/c1-3-19(11-16-12(2)17-22-18-16)23(20,21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3
InChIKeyWOBLRBCFSOUOPI-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.74
Rot. Bonds5

About N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide

N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 35527308) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide
PubChem CID35527308
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide
SMILESCCN(Cc1nonc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O3S/c1-3-19(11-16-12(2)17-22-18-16)23(20,21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3
InChIKeyWOBLRBCFSOUOPI-UHFFFAOYSA-N
XLogP2.74
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
CID 29089458
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
N,N-diethylquinoline-7-sulfonamide
CID 143961440
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]naphthalene-2-sulfonamide
CID 42773342
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 22771442
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
CID 2217901
N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide (CID 35527308) is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide is CCN(Cc1nonc1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is WOBLRBCFSOUOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-19(11-16-12(2)17-22-18-16)23(20,21)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide?
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 35527308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).