4-methylnaphthalene-1-sulfonamide

C11H11NO2S — CID 15695368

IUPAC4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C11H11NO2S/c1-8-6-7-11(15(12,13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H2,12,13,14)
InChIKeyWOBBRWHKRDQDRS-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.80
Rot. Bonds1

About 4-methylnaphthalene-1-sulfonamide

4-methylnaphthalene-1-sulfonamide (PubChem CID 15695368) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methylnaphthalene-1-sulfonamide
PubChem CID15695368
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C11H11NO2S/c1-8-6-7-11(15(12,13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H2,12,13,14)
InChIKeyWOBBRWHKRDQDRS-UHFFFAOYSA-N
XLogP1.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylnaphthalene-1-sulfonamide?
The IUPAC name of 4-methylnaphthalene-1-sulfonamide (CID 15695368) is 4-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-methylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-methylnaphthalene-1-sulfonamide is Cc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-methylnaphthalene-1-sulfonamide?
The InChIKey is WOBBRWHKRDQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-6-7-11(15(12,13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 4-methylnaphthalene-1-sulfonamide?
4-methylnaphthalene-1-sulfonamide has a molecular weight of 221.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 15695368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).