N-tert-butyl-7-methoxynaphthalene-1-sulfonamide

C15H19NO3S — CID 14121039

IUPACN-tert-butyl-7-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc2cccc(S(=O)(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C15H19NO3S/c1-15(2,3)16-20(17,18)14-7-5-6-11-8-9-12(19-4)10-13(11)14/h5-10,16H,1-4H3
InChIKeyZWPJYKUWUKDGKP-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.93
Rot. Bonds3

About N-tert-butyl-7-methoxynaphthalene-1-sulfonamide

N-tert-butyl-7-methoxynaphthalene-1-sulfonamide (PubChem CID 14121039) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-tert-butyl-7-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxynaphthalene-1-sulfonamide
PubChem CID14121039
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-tert-butyl-7-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc2cccc(S(=O)(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C15H19NO3S/c1-15(2,3)16-20(17,18)14-7-5-6-11-8-9-12(19-4)10-13(11)14/h5-10,16H,1-4H3
InChIKeyZWPJYKUWUKDGKP-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
N-(tert-butylsulfamoyl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 71227478
1-tert-butyl-7-methoxynaphthalene
CID 608110
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-tert-butyl-7-methoxynaphthalene-1-sulfonamide (CID 14121039) is N-tert-butyl-7-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-7-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-tert-butyl-7-methoxynaphthalene-1-sulfonamide is COc1ccc2cccc(S(=O)(=O)NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-7-methoxynaphthalene-1-sulfonamide?
The InChIKey is ZWPJYKUWUKDGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-15(2,3)16-20(17,18)14-7-5-6-11-8-9-12(19-4)10-13(11)14/h5-10,16H,1-4H3.
What are the key properties of N-tert-butyl-7-methoxynaphthalene-1-sulfonamide?
N-tert-butyl-7-methoxynaphthalene-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 14121039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).