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

C25H23NO6S2 — CID 139559717

IUPAC4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H23NO6S2/c1-31-19-8-12-21(13-9-19)33(27,28)17-18-7-16-25(24-6-4-3-5-23(18)24)26-34(29,30)22-14-10-20(32-2)11-15-22/h3-16,26H,17H2,1-2H3
InChIKeyUAQWWYCFJATMOR-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.63
Rot. Bonds8

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

4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide (PubChem CID 139559717) has the molecular formula C25H23NO6S2 and a molecular weight of 497.59 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
PubChem CID139559717
Molecular FormulaC25H23NO6S2
Molecular Weight497.59 g/mol
Exact Mass497.10
IUPAC Name4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H23NO6S2/c1-31-19-8-12-21(13-9-19)33(27,28)17-18-7-16-25(24-6-4-3-5-23(18)24)26-34(29,30)22-14-10-20(32-2)11-15-22/h3-16,26H,17H2,1-2H3
InChIKeyUAQWWYCFJATMOR-UHFFFAOYSA-N
XLogP4.63
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylbenzenesulfonyl chloride;4-methyl-N-[4-[(4-methylphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide;4-[(4-methylphenyl)sulfonylmethyl]naphthalen-1-amine
CID 161241126
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 77461035
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
CID 177380626
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
(2S)-3-(4-hydroxyphenyl)-2-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]propanoic acid
CID 155531206
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 67156366
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide (CID 139559717) is 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Cc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is UAQWWYCFJATMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6S2/c1-31-19-8-12-21(13-9-19)33(27,28)17-18-7-16-25(24-6-4-3-5-23(18)24)26-34(29,30)22-14-10-20(32-2)11-15-22/h3-16,26H,17H2,1-2H3.
What are the key properties of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide?
4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 497.59 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 139559717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).