N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide

C19H17NO5S2 — CID 166626696

IUPACN-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C19H17NO5S2/c1-26(21,22)17-12-13-18(19(14-17)25-15-8-4-2-5-9-15)20-27(23,24)16-10-6-3-7-11-16/h2-14,20H,1H3
InChIKeyUDESTKILGIYLRG-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.68
Rot. Bonds6

About N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide

N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide (PubChem CID 166626696) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide
PubChem CID166626696
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC NameN-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C19H17NO5S2/c1-26(21,22)17-12-13-18(19(14-17)25-15-8-4-2-5-9-15)20-27(23,24)16-10-6-3-7-11-16/h2-14,20H,1H3
InChIKeyUDESTKILGIYLRG-UHFFFAOYSA-N
XLogP3.68
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide (CID 166626696) is N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide?
The InChIKey is UDESTKILGIYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-26(21,22)17-12-13-18(19(14-17)25-15-8-4-2-5-9-15)20-27(23,24)16-10-6-3-7-11-16/h2-14,20H,1H3.
What are the key properties of N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide?
N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide has a molecular weight of 403.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonyl-2-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 166626696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).