N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide

C20H16Cl2N2O3S — CID 46465631

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16Cl2N2O3S/c1-13-7-9-15(23-20(25)17-10-8-14(21)11-18(17)22)12-19(13)24-28(26,27)16-5-3-2-4-6-16/h2-12,24H,1H3,(H,23,25)
InChIKeyBIQIYPSOTCZEMH-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.35
Rot. Bonds5

About N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide (PubChem CID 46465631) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
PubChem CID46465631
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16Cl2N2O3S/c1-13-7-9-15(23-20(25)17-10-8-14(21)11-18(17)22)12-19(13)24-28(26,27)16-5-3-2-4-6-16/h2-12,24H,1H3,(H,23,25)
InChIKeyBIQIYPSOTCZEMH-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

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 92673277
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide (CID 46465631) is N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide?
The InChIKey is BIQIYPSOTCZEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c1-13-7-9-15(23-20(25)17-10-8-14(21)11-18(17)22)12-19(13)24-28(26,27)16-5-3-2-4-6-16/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide 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 N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 46465631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).