N-(4-methoxyphenyl)naphthalene-1-sulfonamide

C17H15NO3S — CID 962545

IUPACN-(4-methoxyphenyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO3S/c1-21-15-11-9-14(10-12-15)18-22(19,20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3
InChIKeyQKCWWARXJOJFKM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.65
Rot. Bonds4

About N-(4-methoxyphenyl)naphthalene-1-sulfonamide

N-(4-methoxyphenyl)naphthalene-1-sulfonamide (PubChem CID 962545) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)naphthalene-1-sulfonamide
PubChem CID962545
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-(4-methoxyphenyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C17H15NO3S/c1-21-15-11-9-14(10-12-15)18-22(19,20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3
InChIKeyQKCWWARXJOJFKM-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-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 799154
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
N-(4-Phenoxyphenyl)-3-trifluoromethylbenzenesulfonamide
CID 21210483
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[2-(4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184505
N-[2-(3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184512
N-[2-(3,4-difluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184516

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)naphthalene-1-sulfonamide (CID 962545) is N-(4-methoxyphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)naphthalene-1-sulfonamide is COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)naphthalene-1-sulfonamide?
The InChIKey is QKCWWARXJOJFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-21-15-11-9-14(10-12-15)18-22(19,20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3.
What are the key properties of N-(4-methoxyphenyl)naphthalene-1-sulfonamide?
N-(4-methoxyphenyl)naphthalene-1-sulfonamide 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 N-(4-methoxyphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 962545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).