2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C25H26ClN3O5S2 — CID 4268045

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H26ClN3O5S2/c1-19-5-4-6-22(17-19)29(36(33,34)24-11-7-20(26)8-12-24)18-25(30)27-21-9-13-23(14-10-21)35(31,32)28-15-2-3-16-28/h4-14,17H,2-3,15-16,18H2,1H3,(H,27,30)
InChIKeyPOMBXVUPOJBOMS-UHFFFAOYSA-N
MW548.09 g/mol
LogP4.27
Rot. Bonds8

About 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4268045) has the molecular formula C25H26ClN3O5S2 and a molecular weight of 548.09 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4268045
Molecular FormulaC25H26ClN3O5S2
Molecular Weight548.09 g/mol
Exact Mass547.10
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H26ClN3O5S2/c1-19-5-4-6-22(17-19)29(36(33,34)24-11-7-20(26)8-12-24)18-25(30)27-21-9-13-23(14-10-21)35(31,32)28-15-2-3-16-28/h4-14,17H,2-3,15-16,18H2,1H3,(H,27,30)
InChIKeyPOMBXVUPOJBOMS-UHFFFAOYSA-N
XLogP4.27
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.09
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 21372809
N-[4-(2-adamantyl)phenyl]-2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 126416888
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126412709
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
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2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510895
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
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2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126386851
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4268045) is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is POMBXVUPOJBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O5S2/c1-19-5-4-6-22(17-19)29(36(33,34)24-11-7-20(26)8-12-24)18-25(30)27-21-9-13-23(14-10-21)35(31,32)28-15-2-3-16-28/h4-14,17H,2-3,15-16,18H2,1H3,(H,27,30).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 548.09 g/mol, XLogP of 4.27, 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)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4268045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).