N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide

C19H25NO5S2 — CID 169432194

IUPACN-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide
SMILESCON(S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NO5S2/c1-12-8-14(3)18(15(4)9-12)26(21,22)20(25-7)27(23,24)19-16(5)10-13(2)11-17(19)6/h8-11H,1-7H3
InChIKeyXDIJDDPDKSCIKG-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.48
Rot. Bonds5

About N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide

N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide (PubChem CID 169432194) has the molecular formula C19H25NO5S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide
PubChem CID169432194
Molecular FormulaC19H25NO5S2
Molecular Weight411.55 g/mol
Exact Mass411.12
IUPAC NameN-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide
SMILESCON(S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NO5S2/c1-12-8-14(3)18(15(4)9-12)26(21,22)20(25-7)27(23,24)19-16(5)10-13(2)11-17(19)6/h8-11H,1-7H3
InChIKeyXDIJDDPDKSCIKG-UHFFFAOYSA-N
XLogP3.48
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide (CID 169432194) is N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide is CON(S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide?
The InChIKey is XDIJDDPDKSCIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S2/c1-12-8-14(3)18(15(4)9-12)26(21,22)20(25-7)27(23,24)19-16(5)10-13(2)11-17(19)6/h8-11H,1-7H3.
What are the key properties of N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide?
N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide has a molecular weight of 411.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 169432194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).