2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C25H23Cl2N3O4S — CID 43892755

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H23Cl2N3O4S/c26-19-13-20(27)15-22(14-19)30(35(33,34)23-8-2-1-3-9-23)17-24(31)28-16-18-6-4-7-21(12-18)29-11-5-10-25(29)32/h1-4,6-9,12-15H,5,10-11,16-17H2,(H,28,31)
InChIKeyNWZPTSDXPSIOSM-UHFFFAOYSA-N
MW532.45 g/mol
LogP4.63
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 43892755) has the molecular formula C25H23Cl2N3O4S and a molecular weight of 532.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID43892755
Molecular FormulaC25H23Cl2N3O4S
Molecular Weight532.45 g/mol
Exact Mass531.08
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H23Cl2N3O4S/c26-19-13-20(27)15-22(14-19)30(35(33,34)23-8-2-1-3-9-23)17-24(31)28-16-18-6-4-7-21(12-18)29-11-5-10-25(29)32/h1-4,6-9,12-15H,5,10-11,16-17H2,(H,28,31)
InChIKeyNWZPTSDXPSIOSM-UHFFFAOYSA-N
XLogP4.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43901371
2-[N-(benzenesulfonyl)anilino]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30174183
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30250515
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30223112
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30302324
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43892764
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30222191
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43896948
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30200577
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30245238
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767015

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 43892755) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is NWZPTSDXPSIOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O4S/c26-19-13-20(27)15-22(14-19)30(35(33,34)23-8-2-1-3-9-23)17-24(31)28-16-18-6-4-7-21(12-18)29-11-5-10-25(29)32/h1-4,6-9,12-15H,5,10-11,16-17H2,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 532.45 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 43892755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).