1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide

C14H20N2O3S — CID 3790655

IUPAC1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-4-11-6-8-12(9-7-11)20(18,19)16-10-3-5-13(16)14(15)17/h6-9,13H,2-5,10H2,1H3,(H2,15,17)
InChIKeyAFNBVWGXKVBCCV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.28
Rot. Bonds5

About 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide

1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 3790655) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID3790655
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-4-11-6-8-12(9-7-11)20(18,19)16-10-3-5-13(16)14(15)17/h6-9,13H,2-5,10H2,1H3,(H2,15,17)
InChIKeyAFNBVWGXKVBCCV-UHFFFAOYSA-N
XLogP1.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
1-(4-hexylphenyl)sulfonylaziridine-2-carboxamide
CID 166643379
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 3790655) is 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide is CCCc1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is AFNBVWGXKVBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-4-11-6-8-12(9-7-11)20(18,19)16-10-3-5-13(16)14(15)17/h6-9,13H,2-5,10H2,1H3,(H2,15,17).
What are the key properties of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide?
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3790655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).