N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C17H20ClN3O3S — CID 22518959

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-20-12-14(25(23,24)21-8-4-5-9-21)10-16(20)17(22)19-11-13-6-2-3-7-15(13)18/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,19,22)
InChIKeyNPVAHZGVBUXRNJ-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.39
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22518959) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID22518959
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-20-12-14(25(23,24)21-8-4-5-9-21)10-16(20)17(22)19-11-13-6-2-3-7-15(13)18/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,19,22)
InChIKeyNPVAHZGVBUXRNJ-UHFFFAOYSA-N
XLogP2.39
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 22518959) is N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is NPVAHZGVBUXRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-20-12-14(25(23,24)21-8-4-5-9-21)10-16(20)17(22)19-11-13-6-2-3-7-15(13)18/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22518959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).