N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride

C92H54ClF25N14O13S5 — CID 159789324

About N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride

N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 159789324) has the molecular formula C92H54ClF25N14O13S5 and a molecular weight of 2234.27 g/mol. Its IUPAC name is N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

• Compound Name: N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride
• PubChem CID: 159789324
• Molecular Formula: C92H54ClF25N14O13S5
• Molecular Weight: 2234.27 g/mol
• Exact Mass: 2232.19
• IUPAC Name: N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride
• SMILES: N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.N#Cc1ccnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.N#Cc1ccnc2[nH]ccc12.Nc1ccc(F)cc1F.O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C22H13F5N4O3S.C22H11F5N4O3S.C14H8F5NO3S.C13H8F5NO2S.C8H5N3.C7H4ClF3O2S.C6H5F2N/c2*23-15-5-6-16(31-35(33,34)13-3-1-12(2-4-13)22(25,26)27)19(24)18(15)20(32)14-10-30-21-17(14)11(9-28)7-8-29-21;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;14-9-3-6-12(11(15)7-9)19-22(20,21)10-4-1-8(2-5-10)13(16,17)18;9-5-6-1-3-10-8-7(6)2-4-11-8;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-6(9)5(8)3-4/h1-8,10,20,31-32H,(H,29,30);1-8,10,31H,(H,29,30);1-7,20H;1-7,19H;1-4H,(H,10,11);1-4H;1-3H,9H2
• InChIKey: NIIVRUCJBOXUTR-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 456.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.27
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride?

The IUPAC name of N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride (CID 159789324) is N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride.

What is the SMILES notation for N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride?

The canonical SMILES for N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride is N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.N#Cc1ccnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12.N#Cc1ccnc2[nH]ccc12.Nc1ccc(F)cc1F.O=Cc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride?

The InChIKey is NIIVRUCJBOXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N4O3S.C22H11F5N4O3S.C14H8F5NO3S.C13H8F5NO2S.C8H5N3.C7H4ClF3O2S.C6H5F2N/c2*23-15-5-6-16(31-35(33,34)13-3-1-12(2-4-13)22(25,26)27)19(24)18(15)20(32)14-10-30-21-17(14)11(9-28)7-8-29-21;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;14-9-3-6-12(11(15)7-9)19-22(20,21)10-4-1-8(2-5-10)13(16,17)18;9-5-6-1-3-10-8-7(6)2-4-11-8;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-6(9)5(8)3-4/h1-8,10,20,31-32H,(H,29,30);1-8,10,31H,(H,29,30);1-7,20H;1-7,19H;1-4H,(H,10,11);1-4H;1-3H,9H2.

What are the key properties of N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride?

N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 2234.27 g/mol, XLogP of 22.37, 18 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 159789324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).