N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine

C69H77F5N14O16S5 — CID 158879441

About N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine

N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158879441) has the molecular formula C69H77F5N14O16S5 and a molecular weight of 1613.78 g/mol. Its IUPAC name is N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 158879441
• Molecular Formula: C69H77F5N14O16S5
• Molecular Weight: 1613.78 g/mol
• Exact Mass: 1612.42
• IUPAC Name: N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine
• SMILES: CCCS(=O)(=O)Nc1cccc(C(=O)OC)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F.CCCS(=O)(=O)Nc1cccc(C(O)c2c[nH]c3ncncc23)c1F.CCCS(=O)(=O)Nc1cccc(C=O)c1F.CCCS(=O)(=O)Nc1cccc(CO)c1F.c1ncc2cc[nH]c2n1
• InChI: InChI=1S/C16H17FN4O3S.C16H15FN4O3S.C11H14FNO4S.C10H14FNO3S.C10H12FNO3S.C6H5N3/c2*1-2-6-25(23,24)21-13-5-3-4-10(14(13)17)15(22)11-8-19-16-12(11)7-18-9-20-16;1-3-7-18(15,16)13-9-6-4-5-8(10(9)12)11(14)17-2;2*1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11;1-2-8-6-5(1)3-7-4-9-6/h3-5,7-9,15,21-22H,2,6H2,1H3,(H,18,19,20);3-5,7-9,21H,2,6H2,1H3,(H,18,19,20);4-6,13H,3,7H2,1-2H3;3-5,12-13H,2,6-7H2,1H3;3-5,7,12H,2,6H2,1H3;1-4H,(H,7,8,9)
• InChIKey: JCVULAWAUBQAKM-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 456.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1613.78
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

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)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine (CID 158879441) is N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine is CCCS(=O)(=O)Nc1cccc(C(=O)OC)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F.CCCS(=O)(=O)Nc1cccc(C(O)c2c[nH]c3ncncc23)c1F.CCCS(=O)(=O)Nc1cccc(C=O)c1F.CCCS(=O)(=O)Nc1cccc(CO)c1F.c1ncc2cc[nH]c2n1.

What is the InChIKey of N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is JCVULAWAUBQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3S.C16H15FN4O3S.C11H14FNO4S.C10H14FNO3S.C10H12FNO3S.C6H5N3/c2*1-2-6-25(23,24)21-13-5-3-4-10(14(13)17)15(22)11-8-19-16-12(11)7-18-9-20-16;1-3-7-18(15,16)13-9-6-4-5-8(10(9)12)11(14)17-2;2*1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11;1-2-8-6-5(1)3-7-4-9-6/h3-5,7-9,15,21-22H,2,6H2,1H3,(H,18,19,20);3-5,7-9,21H,2,6H2,1H3,(H,18,19,20);4-6,13H,3,7H2,1-2H3;3-5,12-13H,2,6-7H2,1H3;3-5,7,12H,2,6H2,1H3;1-4H,(H,7,8,9).

What are the key properties of N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine?

N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1613.78 g/mol, XLogP of 10.79, 27 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;methyl 2-fluoro-3-(propylsulfonylamino)benzoate;7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158879441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).