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

C23H23NO4S — CID 3087667

IUPACN-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide
SMILESCOc1ccc(C(=CCNS(=O)(=O)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-27-20-12-8-18(9-13-20)23(19-10-14-21(28-2)15-11-19)16-17-24-29(25,26)22-6-4-3-5-7-22/h3-16,24H,17H2,1-2H3
InChIKeyVKDFWTGNQHLLNS-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.11
Rot. Bonds8

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

N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide (PubChem CID 3087667) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide
PubChem CID3087667
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide
SMILESCOc1ccc(C(=CCNS(=O)(=O)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-27-20-12-8-18(9-13-20)23(19-10-14-21(28-2)15-11-19)16-17-24-29(25,26)22-6-4-3-5-7-22/h3-16,24H,17H2,1-2H3
InChIKeyVKDFWTGNQHLLNS-UHFFFAOYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.11
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-methoxyphenyl)prop-2-enyl]benzenesulfonamide?
The IUPAC name of N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide (CID 3087667) is N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide?
The canonical SMILES for N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide is COc1ccc(C(=CCNS(=O)(=O)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide?
The InChIKey is VKDFWTGNQHLLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-27-20-12-8-18(9-13-20)23(19-10-14-21(28-2)15-11-19)16-17-24-29(25,26)22-6-4-3-5-7-22/h3-16,24H,17H2,1-2H3.
What are the key properties of N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide?
N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.11, 8 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-methoxyphenyl)prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 3087667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).