1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide

C14H17FN2O4S — CID 166373358

IUPAC1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide
SMILESC=CCONC(=O)C1CCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O4S/c1-2-9-21-16-14(18)13-7-4-8-17(13)22(19,20)12-6-3-5-11(15)10-12/h2-3,5-6,10,13H,1,4,7-9H2,(H,16,18)
InChIKeyDHMRNBGYQVXSSO-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.21
Rot. Bonds6

About 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide

1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide (PubChem CID 166373358) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide
PubChem CID166373358
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide
SMILESC=CCONC(=O)C1CCCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O4S/c1-2-9-21-16-14(18)13-7-4-8-17(13)22(19,20)12-6-3-5-11(15)10-12/h2-3,5-6,10,13H,1,4,7-9H2,(H,16,18)
InChIKeyDHMRNBGYQVXSSO-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 24619880
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
2-[[1-(3-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 66750767
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 27828098
N-[(3-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941491
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide (CID 166373358) is 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide is C=CCONC(=O)C1CCCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide?
The InChIKey is DHMRNBGYQVXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-2-9-21-16-14(18)13-7-4-8-17(13)22(19,20)12-6-3-5-11(15)10-12/h2-3,5-6,10,13H,1,4,7-9H2,(H,16,18).
What are the key properties of 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide?
1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-N-prop-2-enoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 166373358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).