N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium

C60H36F15N12O9S3+ — CID 159480546

About N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium

N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium (PubChem CID 159480546) has the molecular formula C60H36F15N12O9S3+ and a molecular weight of 1450.19 g/mol. Its IUPAC name is N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium.

Molecular Properties

• Compound Name: N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium
• PubChem CID: 159480546
• Molecular Formula: C60H36F15N12O9S3+
• Molecular Weight: 1450.19 g/mol
• Exact Mass: 1449.16
• IUPAC Name: N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium
• SMILES: O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2ncncc12.O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Nc1ccc(F)c(C(O)c2c[nH]c3ncncc23)c1F)c1ccc(C(F)(F)F)cc1.[C+]1=Cc2cncnc2N1
• InChI: InChI=1S/C20H13F5N4O3S.C20H11F5N4O3S.C14H8F5NO3S.C6H4N3/c2*21-14-5-6-15(29-33(31,32)11-3-1-10(2-4-11)20(23,24)25)17(22)16(14)18(30)12-8-27-19-13(12)7-26-9-28-19;15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19;1-2-8-6-5(1)3-7-4-9-6/h1-9,18,29-30H,(H,26,27,28);1-9,29H,(H,26,27,28);1-7,20H;1,3-4H,(H,7,8,9)/q;;;+1
• InChIKey: LWYFXCOOFRJZGU-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 313.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1450.19
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium?

The IUPAC name of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium (CID 159480546) is N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium.

What is the SMILES notation for N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium?

The canonical SMILES for N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium is O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2ncncc12.O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Nc1ccc(F)c(C(O)c2c[nH]c3ncncc23)c1F)c1ccc(C(F)(F)F)cc1.[C+]1=Cc2cncnc2N1.

What is the InChIKey of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium?

The InChIKey is LWYFXCOOFRJZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O3S.C20H11F5N4O3S.C14H8F5NO3S.C6H4N3/c2*21-14-5-6-15(29-33(31,32)11-3-1-10(2-4-11)20(23,24)25)17(22)16(14)18(30)12-8-27-19-13(12)7-26-9-28-19;15-11-5-6-12(13(16)10(11)7-21)20-24(22,23)9-3-1-8(2-4-9)14(17,18)19;1-2-8-6-5(1)3-7-4-9-6/h1-9,18,29-30H,(H,26,27,28);1-9,29H,(H,26,27,28);1-7,20H;1,3-4H,(H,7,8,9)/q;;;+1.

What are the key properties of N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium?

N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium has a molecular weight of 1450.19 g/mol, XLogP of 12.70, 14 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium is sourced from PubChem (CID 159480546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).