N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H21N3O3S — CID 110319606

IUPACN-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(-c2nnc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)20-23-22-19(26-20)13-21-27(24,25)18-11-10-15-4-2-3-5-17(15)12-18/h6-12,21H,2-5,13H2,1H3
InChIKeyIGRUJLDBKPYFIC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.40
Rot. Bonds5

About N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 110319606) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID110319606
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(-c2nnc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)20-23-22-19(26-20)13-21-27(24,25)18-11-10-15-4-2-3-5-17(15)12-18/h6-12,21H,2-5,13H2,1H3
InChIKeyIGRUJLDBKPYFIC-UHFFFAOYSA-N
XLogP3.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110319637
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 9188640
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110318486
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110368571
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
4-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110320165

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 110319606) is N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1ccc(-c2nnc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)o2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is IGRUJLDBKPYFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)20-23-22-19(26-20)13-21-27(24,25)18-11-10-15-4-2-3-5-17(15)12-18/h6-12,21H,2-5,13H2,1H3.
What are the key properties of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 110319606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).