N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide

C22H18Cl2N2O4S — CID 3548859

IUPACN-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O4S/c1-30-18-4-2-3-15(13-18)5-12-22(27)25-21-14-19(10-11-20(21)24)31(28,29)26-17-8-6-16(23)7-9-17/h2-14,26H,1H3,(H,25,27)
InChIKeyCYVXGZUKSJXAJC-UHFFFAOYSA-N
MW477.37 g/mol
LogP5.45
Rot. Bonds7

About N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide

N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 3548859) has the molecular formula C22H18Cl2N2O4S and a molecular weight of 477.37 g/mol. Its IUPAC name is N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID3548859
Molecular FormulaC22H18Cl2N2O4S
Molecular Weight477.37 g/mol
Exact Mass476.04
IUPAC NameN-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O4S/c1-30-18-4-2-3-15(13-18)5-12-22(27)25-21-14-19(10-11-20(21)24)31(28,29)26-17-8-6-16(23)7-9-17/h2-14,26H,1H3,(H,25,27)
InChIKeyCYVXGZUKSJXAJC-UHFFFAOYSA-N
XLogP5.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867858
3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4291160
methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 126067611
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26666081
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
(E)-N-(3-chloro-4-cyanophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 26664640

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 3548859) is N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(C=CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is CYVXGZUKSJXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4S/c1-30-18-4-2-3-15(13-18)5-12-22(27)25-21-14-19(10-11-20(21)24)31(28,29)26-17-8-6-16(23)7-9-17/h2-14,26H,1H3,(H,25,27).
What are the key properties of N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide?
N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 477.37 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3548859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).