4-methoxy-N-naphthalen-1-ylbenzenesulfonamide

C17H15NO3S — CID 899644

IUPAC4-methoxy-N-naphthalen-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO3S/c1-21-14-9-11-15(12-10-14)22(19,20)18-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3
InChIKeyKBIAXNFZLJUXNY-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.65
Rot. Bonds4

About 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide

4-methoxy-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 899644) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID899644
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-methoxy-N-naphthalen-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO3S/c1-21-14-9-11-15(12-10-14)22(19,20)18-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3
InChIKeyKBIAXNFZLJUXNY-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 578894
N,N'-Naphthalene-1,4-Diylbis(4-Methoxybenzenesulfonamide)
CID 1073725
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-(4-methoxyphenyl)-1-naphthalenesulfonamide
CID 962545
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 847860
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 1541678
Pcmd-CC-mcm-221
CID 16738589

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide (CID 899644) is 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is KBIAXNFZLJUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-21-14-9-11-15(12-10-14)22(19,20)18-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3.
What are the key properties of 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide?
4-methoxy-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 899644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).