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

C60H40F12N12O9S3 — CID 158764109

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

N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158764109) has the molecular formula C60H40F12N12O9S3 and a molecular weight of 1397.23 g/mol. Its IUPAC name is N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 158764109
• Molecular Formula: C60H40F12N12O9S3
• Molecular Weight: 1397.23 g/mol
• Exact Mass: 1396.20
• IUPAC Name: N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine
• SMILES: O=C(c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2ncncc12.O=Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Nc1cccc(C(O)c2c[nH]c3ncncc23)c1F)c1ccc(C(F)(F)F)cc1.c1ncc2cc[nH]c2n1
• InChI: InChI=1S/C20H14F4N4O3S.C20H12F4N4O3S.C14H9F4NO3S.C6H5N3/c2*21-17-13(18(29)14-9-26-19-15(14)8-25-10-27-19)2-1-3-16(17)28-32(30,31)12-6-4-11(5-7-12)20(22,23)24;15-13-9(8-20)2-1-3-12(13)19-23(21,22)11-6-4-10(5-7-11)14(16,17)18;1-2-8-6-5(1)3-7-4-9-6/h1-10,18,28-29H,(H,25,26,27);1-10,28H,(H,25,26,27);1-8,19H;1-4H,(H,7,8,9)
• InChIKey: IPASJPDJCPDAJM-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 317.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1397.23
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine (CID 158764109) is N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine.

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

The canonical SMILES for N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine is O=C(c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2ncncc12.O=Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Nc1cccc(C(O)c2c[nH]c3ncncc23)c1F)c1ccc(C(F)(F)F)cc1.c1ncc2cc[nH]c2n1.

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

The InChIKey is IPASJPDJCPDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O3S.C20H12F4N4O3S.C14H9F4NO3S.C6H5N3/c2*21-17-13(18(29)14-9-26-19-15(14)8-25-10-27-19)2-1-3-16(17)28-32(30,31)12-6-4-11(5-7-12)20(22,23)24;15-13-9(8-20)2-1-3-12(13)19-23(21,22)11-6-4-10(5-7-11)14(16,17)18;1-2-8-6-5(1)3-7-4-9-6/h1-10,18,28-29H,(H,25,26,27);1-10,28H,(H,25,26,27);1-8,19H;1-4H,(H,7,8,9).

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

N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1397.23 g/mol, XLogP of 12.56, 14 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158764109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).