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

C20H16Cl2N2O3S — CID 1053036

IUPAC2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2N2O3S/c1-13-2-9-17(10-3-13)28(26,27)24-16-7-5-15(6-8-16)23-20(25)18-11-4-14(21)12-19(18)22/h2-12,24H,1H3,(H,23,25)
InChIKeyDYMKVABMZRGTIK-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.35
Rot. Bonds5

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

2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 1053036) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID1053036
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C20H16Cl2N2O3S/c1-13-2-9-17(10-3-13)28(26,27)24-16-7-5-15(6-8-16)23-20(25)18-11-4-14(21)12-19(18)22/h2-12,24H,1H3,(H,23,25)
InChIKeyDYMKVABMZRGTIK-UHFFFAOYSA-N
XLogP5.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 1053036) is 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is DYMKVABMZRGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c1-13-2-9-17(10-3-13)28(26,27)24-16-7-5-15(6-8-16)23-20(25)18-11-4-14(21)12-19(18)22/h2-12,24H,1H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 435.33 g/mol, XLogP of 5.35, 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-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 1053036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).