2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H20ClN3O3S — CID 9098739

IUPAC2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H20ClN3O3S/c19-16-8-1-2-9-17(16)20-13-18(23)21-14-6-5-7-15(12-14)26(24,25)22-10-3-4-11-22/h1-2,5-9,12,20H,3-4,10-11,13H2,(H,21,23)
InChIKeyQVFVFXGVXHAMOH-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.18
Rot. Bonds6

About 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9098739) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID9098739
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H20ClN3O3S/c19-16-8-1-2-9-17(16)20-13-18(23)21-14-6-5-7-15(12-14)26(24,25)22-10-3-4-11-22/h1-2,5-9,12,20H,3-4,10-11,13H2,(H,21,23)
InChIKeyQVFVFXGVXHAMOH-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46797807
N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
CID 78782231

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 9098739) is 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CNc1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QVFVFXGVXHAMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-8-1-2-9-17(16)20-13-18(23)21-14-6-5-7-15(12-14)26(24,25)22-10-3-4-11-22/h1-2,5-9,12,20H,3-4,10-11,13H2,(H,21,23).
What are the key properties of 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 393.90 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9098739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).