3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide

C23H22ClNO5S — CID 121314914

IUPAC3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(/C=C\c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)cc(OC)c1OC
InChIInChI=1S/C23H22ClNO5S/c1-28-21-13-17(14-22(29-2)23(21)30-3)11-10-16-6-4-8-19(12-16)25-31(26,27)20-9-5-7-18(24)15-20/h4-15,25H,1-3H3/b11-10-
InChIKeyACIBFXWVQSHUBQ-KHPPLWFESA-N
MW459.95 g/mol
LogP5.34
Rot. Bonds8

About 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide

3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (PubChem CID 121314914) has the molecular formula C23H22ClNO5S and a molecular weight of 459.95 g/mol. Its IUPAC name is 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
PubChem CID121314914
Molecular FormulaC23H22ClNO5S
Molecular Weight459.95 g/mol
Exact Mass459.09
IUPAC Name3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(/C=C\c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)cc(OC)c1OC
InChIInChI=1S/C23H22ClNO5S/c1-28-21-13-17(14-22(29-2)23(21)30-3)11-10-16-6-4-8-19(12-16)25-31(26,27)20-9-5-7-18(24)15-20/h4-15,25H,1-3H3/b11-10-
InChIKeyACIBFXWVQSHUBQ-KHPPLWFESA-N
XLogP5.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.95
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314897
3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315059
3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314860
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-(3-chlorophenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 6092911
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
3-tert-butyl-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315042
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
3-amino-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-tert-butyl-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-fluoro-4-methoxy-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-fluoro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-hydroxy-4-methoxy-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 162008014

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (CID 121314914) is 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is COc1cc(/C=C\c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The InChIKey is ACIBFXWVQSHUBQ-KHPPLWFESA-N. The full InChI is InChI=1S/C23H22ClNO5S/c1-28-21-13-17(14-22(29-2)23(21)30-3)11-10-16-6-4-8-19(12-16)25-31(26,27)20-9-5-7-18(24)15-20/h4-15,25H,1-3H3/b11-10-.
What are the key properties of 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide has a molecular weight of 459.95 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 121314914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).