2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22FN3O5S2 — CID 1295250

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O5S2/c1-29(25,26)23(17-6-4-5-15(20)13-17)14-19(24)21-16-7-9-18(10-8-16)30(27,28)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)
InChIKeyQJIYWGMYLISOAB-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.01
Rot. Bonds7

About 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1295250) has the molecular formula C19H22FN3O5S2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1295250
Molecular FormulaC19H22FN3O5S2
Molecular Weight455.53 g/mol
Exact Mass455.10
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O5S2/c1-29(25,26)23(17-6-4-5-15(20)13-17)14-19(24)21-16-7-9-18(10-8-16)30(27,28)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)
InChIKeyQJIYWGMYLISOAB-UHFFFAOYSA-N
XLogP2.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1295250) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QJIYWGMYLISOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S2/c1-29(25,26)23(17-6-4-5-15(20)13-17)14-19(24)21-16-7-9-18(10-8-16)30(27,28)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 455.53 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1295250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).