[2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride

C17H18ClF2N3O3S — CID 175543358

IUPAC[2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride
SMILESCl.NC1CCN(c2cccc(-c3cccc(F)c3CS(N)(=O)=O)c2F)C1=O
InChIInChI=1S/C17H17F2N3O3S.ClH/c18-13-5-1-3-10(12(13)9-26(21,24)25)11-4-2-6-15(16(11)19)22-8-7-14(20)17(22)23;/h1-6,14H,7-9,20H2,(H2,21,24,25);1H
InChIKeyFBUXOOYRWILSIG-UHFFFAOYSA-N
MW417.87 g/mol
LogP1.91
Rot. Bonds4

About [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride

[2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride (PubChem CID 175543358) has the molecular formula C17H18ClF2N3O3S and a molecular weight of 417.87 g/mol. Its IUPAC name is [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride
PubChem CID175543358
Molecular FormulaC17H18ClF2N3O3S
Molecular Weight417.87 g/mol
Exact Mass417.07
IUPAC Name[2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride
SMILESCl.NC1CCN(c2cccc(-c3cccc(F)c3CS(N)(=O)=O)c2F)C1=O
InChIInChI=1S/C17H17F2N3O3S.ClH/c18-13-5-1-3-10(12(13)9-26(21,24)25)11-4-2-6-15(16(11)19)22-8-7-14(20)17(22)23;/h1-6,14H,7-9,20H2,(H2,21,24,25);1H
InChIKeyFBUXOOYRWILSIG-UHFFFAOYSA-N
XLogP1.91
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride?
The IUPAC name of [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride (CID 175543358) is [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride is Cl.NC1CCN(c2cccc(-c3cccc(F)c3CS(N)(=O)=O)c2F)C1=O.
What is the InChIKey of [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride?
The InChIKey is FBUXOOYRWILSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S.ClH/c18-13-5-1-3-10(12(13)9-26(21,24)25)11-4-2-6-15(16(11)19)22-8-7-14(20)17(22)23;/h1-6,14H,7-9,20H2,(H2,21,24,25);1H.
What are the key properties of [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride?
[2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride has a molecular weight of 417.87 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-amino-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-6-fluorophenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 175543358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).