4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide

C18H17NO3S — CID 893971

IUPAC4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C18H17NO3S/c1-13-11-17(9-10-18(13)22-2)23(20,21)19-16-8-7-14-5-3-4-6-15(14)12-16/h3-12,19H,1-2H3
InChIKeyCZHJHRNRUKJPPL-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.96
Rot. Bonds4

About 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide

4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide (PubChem CID 893971) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide
PubChem CID893971
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C18H17NO3S/c1-13-11-17(9-10-18(13)22-2)23(20,21)19-16-8-7-14-5-3-4-6-15(14)12-16/h3-12,19H,1-2H3
InChIKeyCZHJHRNRUKJPPL-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.96
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-(2,3-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6473518
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
3-[3-[(4-Methoxynaphthalen-1-yl)sulfonylamino]phenyl]propanoic acid
CID 145982036
N-(4-methoxyphenyl)-1-naphthalenesulfonamide
CID 962545
N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 850027
N-(3,4-dimethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 891616
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 893150
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 935391
N-{4-[(4-fluoroanilino)sulfonyl]phenyl}-4-methoxy-3-methylbenzenesulfonamide
CID 983012

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide (CID 893971) is 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is CZHJHRNRUKJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-13-11-17(9-10-18(13)22-2)23(20,21)19-16-8-7-14-5-3-4-6-15(14)12-16/h3-12,19H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide?
4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 893971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).