6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide

C16H21NO3S — CID 100505966

IUPAC6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H21NO3S/c1-5-16(2,3)17-21(18,19)15-9-7-12-10-14(20-4)8-6-13(12)11-15/h6-11,17H,5H2,1-4H3
InChIKeyZBMSEGJEGAWKLI-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.32
Rot. Bonds5

About 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide

6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide (PubChem CID 100505966) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
PubChem CID100505966
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H21NO3S/c1-5-16(2,3)17-21(18,19)15-9-7-12-10-14(20-4)8-6-13(12)11-15/h6-11,17H,5H2,1-4H3
InChIKeyZBMSEGJEGAWKLI-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide (CID 100505966) is 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide?
The InChIKey is ZBMSEGJEGAWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-5-16(2,3)17-21(18,19)15-9-7-12-10-14(20-4)8-6-13(12)11-15/h6-11,17H,5H2,1-4H3.
What are the key properties of 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide?
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 100505966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).