N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline

C24H25NO5S2 — CID 1178983

IUPACN-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline
SMILESCCOc1ccc(NC=C(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO5S2/c1-4-30-21-11-9-20(10-12-21)25-17-24(31(26,27)22-13-5-18(2)6-14-22)32(28,29)23-15-7-19(3)8-16-23/h5-17,25H,4H2,1-3H3
InChIKeySVFKDRUYIIUIFE-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.86
Rot. Bonds8

About N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline

N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline (PubChem CID 1178983) has the molecular formula C24H25NO5S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline.

Molecular Properties

Compound NameN-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline
PubChem CID1178983
Molecular FormulaC24H25NO5S2
Molecular Weight471.60 g/mol
Exact Mass471.12
IUPAC NameN-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline
SMILESCCOc1ccc(NC=C(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO5S2/c1-4-30-21-11-9-20(10-12-21)25-17-24(31(26,27)22-13-5-18(2)6-14-22)32(28,29)23-15-7-19(3)8-16-23/h5-17,25H,4H2,1-3H3
InChIKeySVFKDRUYIIUIFE-UHFFFAOYSA-N
XLogP4.86
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline?
The IUPAC name of N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline (CID 1178983) is N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline.
What is the SMILES notation for N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline?
The canonical SMILES for N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline is CCOc1ccc(NC=C(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline?
The InChIKey is SVFKDRUYIIUIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S2/c1-4-30-21-11-9-20(10-12-21)25-17-24(31(26,27)22-13-5-18(2)6-14-22)32(28,29)23-15-7-19(3)8-16-23/h5-17,25H,4H2,1-3H3.
What are the key properties of N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline?
N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline has a molecular weight of 471.60 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis-(4-methylphenyl)sulfonylethenyl]-4-ethoxyaniline is sourced from PubChem (CID 1178983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).