N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C22H15Cl2F3N2O3S — CID 3482582

IUPACN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H15Cl2F3N2O3S/c23-16-5-7-17(8-6-16)29-33(31,32)20-13-18(9-10-19(20)24)28-21(30)11-4-14-2-1-3-15(12-14)22(25,26)27/h1-13,29H,(H,28,30)
InChIKeyIMAIAVOPAKKUDS-UHFFFAOYSA-N
MW515.34 g/mol
LogP6.46
Rot. Bonds6

About N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 3482582) has the molecular formula C22H15Cl2F3N2O3S and a molecular weight of 515.34 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID3482582
Molecular FormulaC22H15Cl2F3N2O3S
Molecular Weight515.34 g/mol
Exact Mass514.01
IUPAC NameN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H15Cl2F3N2O3S/c23-16-5-7-17(8-6-16)29-33(31,32)20-13-18(9-10-19(20)24)28-21(30)11-4-14-2-1-3-15(12-14)22(25,26)27/h1-13,29H,(H,28,30)
InChIKeyIMAIAVOPAKKUDS-UHFFFAOYSA-N
XLogP6.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.34
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 3395431
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167994
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
4-chloro-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54192223
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4798388
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3903026
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 4046360
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 3482582) is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is IMAIAVOPAKKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N2O3S/c23-16-5-7-17(8-6-16)29-33(31,32)20-13-18(9-10-19(20)24)28-21(30)11-4-14-2-1-3-15(12-14)22(25,26)27/h1-13,29H,(H,28,30).
What are the key properties of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 515.34 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 3482582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).