2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide

C28H21Cl3N2O5S — CID 67654433

IUPAC2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
SMILESCc1cc(Oc2ccc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)cc2)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H21Cl3N2O5S/c1-16-14-21(15-17(2)26(16)39(36,37)22-12-6-18(29)7-13-22)38-20-10-8-19(9-11-20)32-28(35)33-27(34)25-23(30)4-3-5-24(25)31/h3-15H,1-2H3,(H2,32,33,34,35)
InChIKeyUEVBKMHYPOBBBT-UHFFFAOYSA-N
MW603.91 g/mol
LogP7.85
Rot. Bonds6

About 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide

2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide (PubChem CID 67654433) has the molecular formula C28H21Cl3N2O5S and a molecular weight of 603.91 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
PubChem CID67654433
Molecular FormulaC28H21Cl3N2O5S
Molecular Weight603.91 g/mol
Exact Mass602.02
IUPAC Name2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
SMILESCc1cc(Oc2ccc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)cc2)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H21Cl3N2O5S/c1-16-14-21(15-17(2)26(16)39(36,37)22-12-6-18(29)7-13-22)38-20-10-8-19(9-11-20)32-28(35)33-27(34)25-23(30)4-3-5-24(25)31/h3-15H,1-2H3,(H2,32,33,34,35)
InChIKeyUEVBKMHYPOBBBT-UHFFFAOYSA-N
XLogP7.85
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.91
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[4-[4-(4-chlorophenyl)sulfinyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654120
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005
2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19072595
2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide
CID 22614284
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]-6-fluorobenzamide
CID 19934975
2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
CID 19006407
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide (CID 67654433) is 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide is Cc1cc(Oc2ccc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)cc2)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide?
The InChIKey is UEVBKMHYPOBBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl3N2O5S/c1-16-14-21(15-17(2)26(16)39(36,37)22-12-6-18(29)7-13-22)38-20-10-8-19(9-11-20)32-28(35)33-27(34)25-23(30)4-3-5-24(25)31/h3-15H,1-2H3,(H2,32,33,34,35).
What are the key properties of 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide?
2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide has a molecular weight of 603.91 g/mol, XLogP of 7.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 67654433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).