4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide

C23H22Cl2N2O3S — CID 177371410

IUPAC4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide
SMILESCC(C)CN(c1ccc(-c2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H22Cl2N2O3S/c1-15(2)14-27(31(29,30)22-20(24)4-3-5-21(22)25)19-12-10-17(11-13-19)16-6-8-18(9-7-16)23(26)28/h3-13,15H,14H2,1-2H3,(H2,26,28)
InChIKeyOCTZUZLBQOPICL-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.61
Rot. Bonds7

About 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide

4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide (PubChem CID 177371410) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide
PubChem CID177371410
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide
SMILESCC(C)CN(c1ccc(-c2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H22Cl2N2O3S/c1-15(2)14-27(31(29,30)22-20(24)4-3-5-21(22)25)19-12-10-17(11-13-19)16-6-8-18(9-7-16)23(26)28/h3-13,15H,14H2,1-2H3,(H2,26,28)
InChIKeyOCTZUZLBQOPICL-UHFFFAOYSA-N
XLogP5.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
The IUPAC name of 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide (CID 177371410) is 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide is CC(C)CN(c1ccc(-c2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
The InChIKey is OCTZUZLBQOPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-15(2)14-27(31(29,30)22-20(24)4-3-5-21(22)25)19-12-10-17(11-13-19)16-6-8-18(9-7-16)23(26)28/h3-13,15H,14H2,1-2H3,(H2,26,28).
What are the key properties of 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide has a molecular weight of 477.41 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide is sourced from PubChem (CID 177371410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).