N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline

C24H23ClFNO4S — CID 145072205

IUPACN-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NSc2ccc(Cl)cc2)c1F
InChIInChI=1S/C24H23ClFNO4S/c1-28-19-12-7-16(23(22(19)26)27-32-18-10-8-17(25)9-11-18)6-5-15-13-20(29-2)24(31-4)21(14-15)30-3/h5-14,27H,1-4H3/b6-5-
InChIKeyRKTMOVXTHGFOEZ-WAYWQWQTSA-N
MW475.97 g/mol
LogP6.80
Rot. Bonds9

About N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline

N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (PubChem CID 145072205) has the molecular formula C24H23ClFNO4S and a molecular weight of 475.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
PubChem CID145072205
Molecular FormulaC24H23ClFNO4S
Molecular Weight475.97 g/mol
Exact Mass475.10
IUPAC NameN-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NSc2ccc(Cl)cc2)c1F
InChIInChI=1S/C24H23ClFNO4S/c1-28-19-12-7-16(23(22(19)26)27-32-18-10-8-17(25)9-11-18)6-5-15-13-20(29-2)24(31-4)21(14-15)30-3/h5-14,27H,1-4H3/b6-5-
InChIKeyRKTMOVXTHGFOEZ-WAYWQWQTSA-N
XLogP6.80
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.97
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072399
ethane;2-[(4-fluorophenyl)sulfanylamino]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 145072270
ethane;3-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfanyl-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072385
5-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]sulfanyl-2-methoxyphenol
CID 145072351
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
N-(3-tert-butylphenyl)sulfanyl-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline;N-(3-fluoro-4-methoxyphenyl)sulfanyl-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072258
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460433
3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314860
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
N-[4-(trifluoromethyl)phenyl]sulfanyl-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072366
N-(3-amino-4-methoxyphenyl)sulfanyl-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072245

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The IUPAC name of N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline (CID 145072205) is N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline.
What is the SMILES notation for N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The canonical SMILES for N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NSc2ccc(Cl)cc2)c1F.
What is the InChIKey of N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
The InChIKey is RKTMOVXTHGFOEZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C24H23ClFNO4S/c1-28-19-12-7-16(23(22(19)26)27-32-18-10-8-17(25)9-11-18)6-5-15-13-20(29-2)24(31-4)21(14-15)30-3/h5-14,27H,1-4H3/b6-5-.
What are the key properties of N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline?
N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline has a molecular weight of 475.97 g/mol, XLogP of 6.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfanyl-2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 145072205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).