2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C19H22ClN3O3S — CID 30764000

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)23(16-8-6-7-15(20)13-16)14-19(24)21-17-9-2-3-10-18(17)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,24)
InChIKeyGZXGVKYCDIBYRS-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.34
Rot. Bonds6

About 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 30764000) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID30764000
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)23(16-8-6-7-15(20)13-16)14-19(24)21-17-9-2-3-10-18(17)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,24)
InChIKeyGZXGVKYCDIBYRS-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 21372809
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126125465
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N-(5-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342538
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 98123181

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 30764000) is 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is GZXGVKYCDIBYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-27(25,26)23(16-8-6-7-15(20)13-16)14-19(24)21-17-9-2-3-10-18(17)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,24).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 407.92 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 30764000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).