2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide

C19H13Cl3N2O3S — CID 164620267

IUPAC2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl3N2O3S/c20-12-2-1-3-15(10-12)24-28(26,27)16-7-5-14(6-8-16)23-19(25)17-9-4-13(21)11-18(17)22/h1-11,24H,(H,23,25)
InChIKeyLGQGBWCQFFQNEU-UHFFFAOYSA-N
MW455.75 g/mol
LogP5.70
Rot. Bonds5

About 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide

2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 164620267) has the molecular formula C19H13Cl3N2O3S and a molecular weight of 455.75 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide
PubChem CID164620267
Molecular FormulaC19H13Cl3N2O3S
Molecular Weight455.75 g/mol
Exact Mass453.97
IUPAC Name2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl3N2O3S/c20-12-2-1-3-15(10-12)24-28(26,27)16-7-5-14(6-8-16)23-19(25)17-9-4-13(21)11-18(17)22/h1-11,24H,(H,23,25)
InChIKeyLGQGBWCQFFQNEU-UHFFFAOYSA-N
XLogP5.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.75
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2,4-dichloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1014382
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070933
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
2,4-dichloro-N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)benzamide
CID 5999039
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
2,4-dichloro-N-[4-(dimethylamino)phenyl]sulfonylbenzamide
CID 11211004
2,4-dichloro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
CID 71498311

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide (CID 164620267) is 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is LGQGBWCQFFQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3S/c20-12-2-1-3-15(10-12)24-28(26,27)16-7-5-14(6-8-16)23-19(25)17-9-4-13(21)11-18(17)22/h1-11,24H,(H,23,25).
What are the key properties of 2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide?
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 455.75 g/mol, XLogP of 5.70, 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-[(3-chlorophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 164620267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).