N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C17H21N3O3S — CID 6625794

IUPACN-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-19-13-15(24(22,23)20-9-5-6-10-20)11-16(19)17(21)18-12-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,21)
InChIKeyBPAFUNCXHADZSY-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.74
Rot. Bonds5

About N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 6625794) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID6625794
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-19-13-15(24(22,23)20-9-5-6-10-20)11-16(19)17(21)18-12-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,21)
InChIKeyBPAFUNCXHADZSY-UHFFFAOYSA-N
XLogP1.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 6625794) is N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is BPAFUNCXHADZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19-13-15(24(22,23)20-9-5-6-10-20)11-16(19)17(21)18-12-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,21).
What are the key properties of N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 6625794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).