(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane

C34H42BrF4N7O6S2 — CID 161201528

IUPAC(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane
SMILESC.CNS(=O)(=O)C[C@](C)(N)c1cc(Br)ccc1F.CNS(=O)(=O)C[C@](C)(N)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.NC(=O)c1ccc(F)cn1
InChIInChI=1S/C17H19F2N3O3S.C10H14BrFN2O2S.C6H5FN2O.CH4/c1-17(20,10-26(24,25)21-2)13-7-11(3-5-14(13)19)8-16(23)15-6-4-12(18)9-22-15;1-10(13,6-17(15,16)14-2)8-5-7(11)3-4-9(8)12;7-4-1-2-5(6(8)10)9-3-4;/h3-7,9,21H,8,10,20H2,1-2H3;3-5,14H,6,13H2,1-2H3;1-3H,(H2,8,10);1H4/t17-;10-;;/m00../s1
InChIKeyUVARJLBPEWPRDO-NIXHETDZSA-N
MW864.78 g/mol
LogP3.78
Rot. Bonds12

About (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane

(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane (PubChem CID 161201528) has the molecular formula C34H42BrF4N7O6S2 and a molecular weight of 864.78 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane
PubChem CID161201528
Molecular FormulaC34H42BrF4N7O6S2
Molecular Weight864.78 g/mol
Exact Mass863.18
IUPAC Name(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane
SMILESC.CNS(=O)(=O)C[C@](C)(N)c1cc(Br)ccc1F.CNS(=O)(=O)C[C@](C)(N)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.NC(=O)c1ccc(F)cn1
InChIInChI=1S/C17H19F2N3O3S.C10H14BrFN2O2S.C6H5FN2O.CH4/c1-17(20,10-26(24,25)21-2)13-7-11(3-5-14(13)19)8-16(23)15-6-4-12(18)9-22-15;1-10(13,6-17(15,16)14-2)8-5-7(11)3-4-9(8)12;7-4-1-2-5(6(8)10)9-3-4;/h3-7,9,21H,8,10,20H2,1-2H3;3-5,14H,6,13H2,1-2H3;1-3H,(H2,8,10);1H4/t17-;10-;;/m00../s1
InChIKeyUVARJLBPEWPRDO-NIXHETDZSA-N
XLogP3.78
TPSA230.32 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500864.78
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;(2R)-2-(5-bromo-2-fluorophenyl)-2-[[(R)-tert-butylsulfinyl]amino]-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide;(R)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide;N,2-dimethylcyclohexan-1-amine;1-(5-fluoro-2-pyridinyl)ethanone;N-[(4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 161372616
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone
CID 158154885
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79722239
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 158152074
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
2-[3-[(2S,5R)-6-amino-5-fluoro-2,5-bis(fluoromethyl)-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 162098531
1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125669
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane?
The IUPAC name of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane (CID 161201528) is (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane is C.CNS(=O)(=O)C[C@](C)(N)c1cc(Br)ccc1F.CNS(=O)(=O)C[C@](C)(N)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.NC(=O)c1ccc(F)cn1.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane?
The InChIKey is UVARJLBPEWPRDO-NIXHETDZSA-N. The full InChI is InChI=1S/C17H19F2N3O3S.C10H14BrFN2O2S.C6H5FN2O.CH4/c1-17(20,10-26(24,25)21-2)13-7-11(3-5-14(13)19)8-16(23)15-6-4-12(18)9-22-15;1-10(13,6-17(15,16)14-2)8-5-7(11)3-4-9(8)12;7-4-1-2-5(6(8)10)9-3-4;/h3-7,9,21H,8,10,20H2,1-2H3;3-5,14H,6,13H2,1-2H3;1-3H,(H2,8,10);1H4/t17-;10-;;/m00../s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane?
(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane has a molecular weight of 864.78 g/mol, XLogP of 3.78, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-N-methylpropane-1-sulfonamide;(2R)-2-amino-2-[2-fluoro-5-[2-(5-fluoro-2-pyridinyl)-2-oxoethyl]phenyl]-N-methylpropane-1-sulfonamide;5-fluoropyridine-2-carboxamide;methane is sourced from PubChem (CID 161201528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).