(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide

C21H24FN3O6S2 — CID 40797428

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O6S2/c22-16-3-7-19(8-4-16)33(29,30)25-11-1-2-20(25)21(26)23-17-5-9-18(10-6-17)32(27,28)24-12-14-31-15-13-24/h3-10,20H,1-2,11-15H2,(H,23,26)/t20-/m1/s1
InChIKeyXYBOOEVFLRHYIB-HXUWFJFHSA-N
MW497.57 g/mol
LogP1.64
Rot. Bonds6

About (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 40797428) has the molecular formula C21H24FN3O6S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID40797428
Molecular FormulaC21H24FN3O6S2
Molecular Weight497.57 g/mol
Exact Mass497.11
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O6S2/c22-16-3-7-19(8-4-16)33(29,30)25-11-1-2-20(25)21(26)23-17-5-9-18(10-6-17)32(27,28)24-12-14-31-15-13-24/h3-10,20H,1-2,11-15H2,(H,23,26)/t20-/m1/s1
InChIKeyXYBOOEVFLRHYIB-HXUWFJFHSA-N
XLogP1.64
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
3-[[4-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]phenyl]sulfonylamino]propanoic acid
CID 42931166
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 40797428) is (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XYBOOEVFLRHYIB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24FN3O6S2/c22-16-3-7-19(8-4-16)33(29,30)25-11-1-2-20(25)21(26)23-17-5-9-18(10-6-17)32(27,28)24-12-14-31-15-13-24/h3-10,20H,1-2,11-15H2,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 40797428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).