N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide

C23H23NO4S — CID 122398695

IUPACN-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(=CNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-17-4-14-22(15-5-17)29(25,26)24-16-23(18-6-10-20(27-2)11-7-18)19-8-12-21(28-3)13-9-19/h4-16,24H,1-3H3
InChIKeySATGQOBKMPXIFV-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.38
Rot. Bonds7

About N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide

N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide (PubChem CID 122398695) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
PubChem CID122398695
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(=CNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-17-4-14-22(15-5-17)29(25,26)24-16-23(18-6-10-20(27-2)11-7-18)19-8-12-21(28-3)13-9-19/h4-16,24H,1-3H3
InChIKeySATGQOBKMPXIFV-UHFFFAOYSA-N
XLogP4.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 122398699
N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide
CID 132514627
ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 134934643
4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide
CID 70074823
N-[(1R,2S)-1-bromo-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102280791
N-[3-(4-methoxyphenyl)-3-oxopropyl]-4-methylbenzenesulfonamide;prop-1-yn-1-ol
CID 141482912
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 132583319
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide (CID 122398695) is N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide is COc1ccc(C(=CNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide?
The InChIKey is SATGQOBKMPXIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-17-4-14-22(15-5-17)29(25,26)24-16-23(18-6-10-20(27-2)11-7-18)19-8-12-21(28-3)13-9-19/h4-16,24H,1-3H3.
What are the key properties of N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide?
N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122398695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).