(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

C17H16BrFN2O3S — CID 1487032

IUPAC(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O3S/c18-12-3-9-15(10-4-12)25(23,24)21-11-1-2-16(21)17(22)20-14-7-5-13(19)6-8-14/h3-10,16H,1-2,11H2,(H,20,22)/t16-/m0/s1
InChIKeyXMPALYWLOAFUQG-INIZCTEOSA-N
MW427.30 g/mol
LogP3.38
Rot. Bonds4

About (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 1487032) has the molecular formula C17H16BrFN2O3S and a molecular weight of 427.30 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID1487032
Molecular FormulaC17H16BrFN2O3S
Molecular Weight427.30 g/mol
Exact Mass426.00
IUPAC Name(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O3S/c18-12-3-9-15(10-4-12)25(23,24)21-11-1-2-16(21)17(22)20-14-7-5-13(19)6-8-14/h3-10,16H,1-2,11H2,(H,20,22)/t16-/m0/s1
InChIKeyXMPALYWLOAFUQG-INIZCTEOSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 40797428
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 24617176
3-[[4-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]phenyl]sulfonylamino]propanoic acid
CID 42931166
1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 42935536

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (CID 1487032) is (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is XMPALYWLOAFUQG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16BrFN2O3S/c18-12-3-9-15(10-4-12)25(23,24)21-11-1-2-16(21)17(22)20-14-7-5-13(19)6-8-14/h3-10,16H,1-2,11H2,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 1487032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).