1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide

C20H24FN3O6S2 — CID 43050515

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O6S2/c1-30-16-6-10-17(11-7-16)31(26,27)23-13-12-22-20(25)19-3-2-14-24(19)32(28,29)18-8-4-15(21)5-9-18/h4-11,19,23H,2-3,12-14H2,1H3,(H,22,25)
InChIKeyZLEHMWVCKRWAHH-UHFFFAOYSA-N
MW485.56 g/mol
LogP1.08
Rot. Bonds9

About 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 43050515) has the molecular formula C20H24FN3O6S2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
PubChem CID43050515
Molecular FormulaC20H24FN3O6S2
Molecular Weight485.56 g/mol
Exact Mass485.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O6S2/c1-30-16-6-10-17(11-7-16)31(26,27)23-13-12-22-20(25)19-3-2-14-24(19)32(28,29)18-8-4-15(21)5-9-18/h4-11,19,23H,2-3,12-14H2,1H3,(H,22,25)
InChIKeyZLEHMWVCKRWAHH-UHFFFAOYSA-N
XLogP1.08
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 17488224
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010
(2S)-1-(4-fluorophenyl)sulfonyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071510
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011
1-(4-fluorophenyl)sulfonyl-N-[[3-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 75298437
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 91833132
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
1-(4-fluorophenyl)sulfonyl-N-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 118413639
N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941321
(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468405

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide (CID 43050515) is 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)NCCNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ZLEHMWVCKRWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O6S2/c1-30-16-6-10-17(11-7-16)31(26,27)23-13-12-22-20(25)19-3-2-14-24(19)32(28,29)18-8-4-15(21)5-9-18/h4-11,19,23H,2-3,12-14H2,1H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43050515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).