2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide

C19H14Cl2N2O3S — CID 5157334

IUPAC2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyLNUTUGZHBGDTOU-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.05
Rot. Bonds5

About 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide

2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 5157334) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID5157334
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC Name2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyLNUTUGZHBGDTOU-UHFFFAOYSA-N
XLogP5.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 5157334) is 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is LNUTUGZHBGDTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24).
What are the key properties of 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 421.31 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 5157334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).