N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide

C25H27NO4S — CID 139646639

IUPACN-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide
SMILESCCOc1ccc(C(=CCNS(=O)(=O)c2ccccc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H27NO4S/c1-3-29-22-14-10-20(11-15-22)25(21-12-16-23(17-13-21)30-4-2)18-19-26-31(27,28)24-8-6-5-7-9-24/h5-18,26H,3-4,19H2,1-2H3
InChIKeyXQHVZGQSYLHLCR-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.89
Rot. Bonds10

About N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide

N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide (PubChem CID 139646639) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide
PubChem CID139646639
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC NameN-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide
SMILESCCOc1ccc(C(=CCNS(=O)(=O)c2ccccc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H27NO4S/c1-3-29-22-14-10-20(11-15-22)25(21-12-16-23(17-13-21)30-4-2)18-19-26-31(27,28)24-8-6-5-7-9-24/h5-18,26H,3-4,19H2,1-2H3
InChIKeyXQHVZGQSYLHLCR-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide?
The IUPAC name of N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide (CID 139646639) is N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide?
The canonical SMILES for N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide is CCOc1ccc(C(=CCNS(=O)(=O)c2ccccc2)c2ccc(OCC)cc2)cc1.
What is the InChIKey of N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide?
The InChIKey is XQHVZGQSYLHLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S/c1-3-29-22-14-10-20(11-15-22)25(21-12-16-23(17-13-21)30-4-2)18-19-26-31(27,28)24-8-6-5-7-9-24/h5-18,26H,3-4,19H2,1-2H3.
What are the key properties of N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide?
N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide has a molecular weight of 437.56 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 139646639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).