N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C15H21ClN2O3S — CID 51240584

IUPACN-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-2-10-22(20,21)18-9-5-8-14(18)15(19)17-11-12-6-3-4-7-13(12)16/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyNBVWTLIHJGSEEA-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.16
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51240584) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID51240584
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-2-10-22(20,21)18-9-5-8-14(18)15(19)17-11-12-6-3-4-7-13(12)16/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyNBVWTLIHJGSEEA-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2R)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 95158838
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129465976
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966570
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60607475

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 51240584) is N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is NBVWTLIHJGSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-10-22(20,21)18-9-5-8-14(18)15(19)17-11-12-6-3-4-7-13(12)16/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51240584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).