N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide

C19H19Cl2N3O4S — CID 42890350

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O4S/c1-12(23-29(27,28)15-5-2-4-13(20)10-15)19(26)22-14-7-8-17(16(21)11-14)24-9-3-6-18(24)25/h2,4-5,7-8,10-12,23H,3,6,9H2,1H3,(H,22,26)
InChIKeyAHJIKYIJEJZFII-UHFFFAOYSA-N
MW456.35 g/mol
LogP3.43
Rot. Bonds6

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 42890350) has the molecular formula C19H19Cl2N3O4S and a molecular weight of 456.35 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID42890350
Molecular FormulaC19H19Cl2N3O4S
Molecular Weight456.35 g/mol
Exact Mass455.05
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O4S/c1-12(23-29(27,28)15-5-2-4-13(20)10-15)19(26)22-14-7-8-17(16(21)11-14)24-9-3-6-18(24)25/h2,4-5,7-8,10-12,23H,3,6,9H2,1H3,(H,22,26)
InChIKeyAHJIKYIJEJZFII-UHFFFAOYSA-N
XLogP3.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9319554
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 46699695
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
CID 34281309
5-(benzylsulfamoyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 46528607
(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55942709
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
CID 32508323
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935089

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide (CID 42890350) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is AHJIKYIJEJZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4S/c1-12(23-29(27,28)15-5-2-4-13(20)10-15)19(26)22-14-7-8-17(16(21)11-14)24-9-3-6-18(24)25/h2,4-5,7-8,10-12,23H,3,6,9H2,1H3,(H,22,26).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 456.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 42890350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).