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

C24H24ClNO6S — CID 121314897

IUPAC3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClNO6S/c1-29-21-11-10-16(8-9-17-13-22(30-2)24(32-4)23(14-17)31-3)12-20(21)26-33(27,28)19-7-5-6-18(25)15-19/h5-15,26H,1-4H3/b9-8-
InChIKeyFMTXITJMRFGVEC-HJWRWDBZSA-N
MW489.98 g/mol
LogP5.35
Rot. Bonds9

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

3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (PubChem CID 121314897) has the molecular formula C24H24ClNO6S and a molecular weight of 489.98 g/mol. Its IUPAC name is 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
PubChem CID121314897
Molecular FormulaC24H24ClNO6S
Molecular Weight489.98 g/mol
Exact Mass489.10
IUPAC Name3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClNO6S/c1-29-21-11-10-16(8-9-17-13-22(30-2)24(32-4)23(14-17)31-3)12-20(21)26-33(27,28)19-7-5-6-18(25)15-19/h5-15,26H,1-4H3/b9-8-
InChIKeyFMTXITJMRFGVEC-HJWRWDBZSA-N
XLogP5.35
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.98
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314914
3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314860
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
3-tert-butyl-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315042
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-[2-hydroxy-3-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3,4,5-trimethoxybenzenesulfonamide
CID 121315017
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (CID 121314897) is 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The InChIKey is FMTXITJMRFGVEC-HJWRWDBZSA-N. The full InChI is InChI=1S/C24H24ClNO6S/c1-29-21-11-10-16(8-9-17-13-22(30-2)24(32-4)23(14-17)31-3)12-20(21)26-33(27,28)19-7-5-6-18(25)15-19/h5-15,26H,1-4H3/b9-8-.
What are the key properties of 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide has a molecular weight of 489.98 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 121314897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).