2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C22H22ClN3O5S2 — CID 1317361

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C22H22ClN3O5S2/c1-25(32(2,28)29)20-10-6-7-18(15-20)24-22(27)16-26(19-8-4-3-5-9-19)33(30,31)21-13-11-17(23)12-14-21/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyQQWWDGKPTWLIOI-UHFFFAOYSA-N
MW508.02 g/mol
LogP3.57
Rot. Bonds8

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

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1317361) has the molecular formula C22H22ClN3O5S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1317361
Molecular FormulaC22H22ClN3O5S2
Molecular Weight508.02 g/mol
Exact Mass507.07
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C22H22ClN3O5S2/c1-25(32(2,28)29)20-10-6-7-18(15-20)24-22(27)16-26(19-8-4-3-5-9-19)33(30,31)21-13-11-17(23)12-14-21/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyQQWWDGKPTWLIOI-UHFFFAOYSA-N
XLogP3.57
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126127010
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314395
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126142617
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035125
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1295597

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1317361) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is QQWWDGKPTWLIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S2/c1-25(32(2,28)29)20-10-6-7-18(15-20)24-22(27)16-26(19-8-4-3-5-9-19)33(30,31)21-13-11-17(23)12-14-21/h3-15H,16H2,1-2H3,(H,24,27).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 508.02 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1317361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).