3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

C24H22N2O6S2 — CID 122194678

IUPAC3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)c3ccccc23)c1
InChIInChI=1S/C24H22N2O6S2/c1-31-17-7-5-9-19(15-17)33(27,28)25-23-13-14-24(22-12-4-3-11-21(22)23)26-34(29,30)20-10-6-8-18(16-20)32-2/h3-16,25-26H,1-2H3
InChIKeyGRIQSZFMJIFQQJ-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.46
Rot. Bonds8

About 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (PubChem CID 122194678) has the molecular formula C24H22N2O6S2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
PubChem CID122194678
Molecular FormulaC24H22N2O6S2
Molecular Weight498.58 g/mol
Exact Mass498.09
IUPAC Name3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)c3ccccc23)c1
InChIInChI=1S/C24H22N2O6S2/c1-31-17-7-5-9-19(15-17)33(27,28)25-23-13-14-24(22-12-4-3-11-21(22)23)26-34(29,30)20-10-6-8-18(16-20)32-2/h3-16,25-26H,1-2H3
InChIKeyGRIQSZFMJIFQQJ-UHFFFAOYSA-N
XLogP4.46
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 171347765
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
CID 10437549
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
CID 139559717

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (CID 122194678) is 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)c3ccccc23)c1.
What is the InChIKey of 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is GRIQSZFMJIFQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S2/c1-31-17-7-5-9-19(15-17)33(27,28)25-23-13-14-24(22-12-4-3-11-21(22)23)26-34(29,30)20-10-6-8-18(16-20)32-2/h3-16,25-26H,1-2H3.
What are the key properties of 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 498.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 122194678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).