2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide

C28H20Cl4N2O4S — CID 19072595

IUPAC2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)c(C)c(Cl)c1Oc1ccc(S(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H20Cl4N2O4S/c1-15-14-23(33-28(36)34-27(35)24-21(30)4-3-5-22(24)31)16(2)25(32)26(15)38-18-8-12-20(13-9-18)39(37)19-10-6-17(29)7-11-19/h3-14H,1-2H3,(H2,33,34,35,36)
InChIKeyWIWMNHJJFQGCAT-UHFFFAOYSA-N
MW622.36 g/mol
LogP8.84
Rot. Bonds6

About 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide

2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide (PubChem CID 19072595) has the molecular formula C28H20Cl4N2O4S and a molecular weight of 622.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
PubChem CID19072595
Molecular FormulaC28H20Cl4N2O4S
Molecular Weight622.36 g/mol
Exact Mass619.99
IUPAC Name2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)c(C)c(Cl)c1Oc1ccc(S(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H20Cl4N2O4S/c1-15-14-23(33-28(36)34-27(35)24-21(30)4-3-5-22(24)31)16(2)25(32)26(15)38-18-8-12-20(13-9-18)39(37)19-10-6-17(29)7-11-19/h3-14H,1-2H3,(H2,33,34,35,36)
InChIKeyWIWMNHJJFQGCAT-UHFFFAOYSA-N
XLogP8.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.36
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]-6-fluorobenzamide
CID 19934975
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
2-chloro-N-[[3-chloro-4-[4-(4-chlorobenzoyl)phenoxy]-2,5-dimethylphenyl]carbamothioyl]benzamide
CID 23311666
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626064
2-chloro-N-[[4-[4-(4-chlorophenyl)sulfinyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654120
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654433

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide (CID 19072595) is 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)c(C)c(Cl)c1Oc1ccc(S(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
The InChIKey is WIWMNHJJFQGCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl4N2O4S/c1-15-14-23(33-28(36)34-27(35)24-21(30)4-3-5-22(24)31)16(2)25(32)26(15)38-18-8-12-20(13-9-18)39(37)19-10-6-17(29)7-11-19/h3-14H,1-2H3,(H2,33,34,35,36).
What are the key properties of 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide has a molecular weight of 622.36 g/mol, XLogP of 8.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 19072595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).