2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C23H23Cl2N3O5S2 — CID 2233458

IUPAC2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H23Cl2N3O5S2/c1-16-7-10-20(11-8-16)35(32,33)28(19-9-12-21(24)22(25)14-19)15-23(29)26-17-5-4-6-18(13-17)27(2)34(3,30)31/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyQCXJAQSJWTXIFU-UHFFFAOYSA-N
MW556.49 g/mol
LogP4.53
Rot. Bonds8

About 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 2233458) has the molecular formula C23H23Cl2N3O5S2 and a molecular weight of 556.49 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID2233458
Molecular FormulaC23H23Cl2N3O5S2
Molecular Weight556.49 g/mol
Exact Mass555.05
IUPAC Name2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H23Cl2N3O5S2/c1-16-7-10-20(11-8-16)35(32,33)28(19-9-12-21(24)22(25)14-19)15-23(29)26-17-5-4-6-18(13-17)27(2)34(3,30)31/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyQCXJAQSJWTXIFU-UHFFFAOYSA-N
XLogP4.53
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
N-(4-Chloro-3-nitro-phenyl)-2-[cyclohexyl-(toluene-4-sulfonyl)-amino]-acetamide
CID 1117367
2-[N-(3-Chlorophenyl)4-methylbenzenesulfonamido]-N-(2,6-dimethylphenyl)acetamide
CID 1247158
N-(2,4-Dichlorophenyl)-2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]acetamide
CID 1248751
N-(4-chlorobenzyl)-N~2~-(2-ethylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 1283333
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314080
N-(3-chloro-2-methylphenyl)-2-(N-p-tolylphenylsulfonamido)acetamide
CID 1368921
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2380645
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618
N-(4-Chlorophenethyl)-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetamide
CID 3508209

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 2233458) is 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is QCXJAQSJWTXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O5S2/c1-16-7-10-20(11-8-16)35(32,33)28(19-9-12-21(24)22(25)14-19)15-23(29)26-17-5-4-6-18(13-17)27(2)34(3,30)31/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 556.49 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 2233458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).