2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide

C28H24Cl2N2O3S2 — CID 43892948

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1SCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H24Cl2N2O3S2/c1-20-17-23(30)15-16-26(20)32(37(34,35)24-7-3-2-4-8-24)18-28(33)31-25-9-5-6-10-27(25)36-19-21-11-13-22(29)14-12-21/h2-17H,18-19H2,1H3,(H,31,33)
InChIKeyGDRASVPMRLNRQE-UHFFFAOYSA-N
MW571.55 g/mol
LogP7.43
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide (PubChem CID 43892948) has the molecular formula C28H24Cl2N2O3S2 and a molecular weight of 571.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
PubChem CID43892948
Molecular FormulaC28H24Cl2N2O3S2
Molecular Weight571.55 g/mol
Exact Mass570.06
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1SCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H24Cl2N2O3S2/c1-20-17-23(30)15-16-26(20)32(37(34,35)24-7-3-2-4-8-24)18-28(33)31-25-9-5-6-10-27(25)36-19-21-11-13-22(29)14-12-21/h2-17H,18-19H2,1H3,(H,31,33)
InChIKeyGDRASVPMRLNRQE-UHFFFAOYSA-N
XLogP7.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892860
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43893066
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894634
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894578
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 43899050
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897680
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892463
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
CID 92646351
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
CID 1314332
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 5203198
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 30172363
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894222

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide (CID 43892948) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide is Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1SCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide?
The InChIKey is GDRASVPMRLNRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O3S2/c1-20-17-23(30)15-16-26(20)32(37(34,35)24-7-3-2-4-8-24)18-28(33)31-25-9-5-6-10-27(25)36-19-21-11-13-22(29)14-12-21/h2-17H,18-19H2,1H3,(H,31,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide has a molecular weight of 571.55 g/mol, XLogP of 7.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 43892948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).