2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide

C23H20Cl2FN5O2S — CID 24816244

IUPAC2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2cccc3c2cnn3-c2ccc(F)nc2)C1
InChIInChI=1S/C23H20Cl2FN5O2S/c1-14-9-15(24)10-19(25)23(14)34(32,33)29-16-7-8-30(13-16)20-3-2-4-21-18(20)12-28-31(21)17-5-6-22(26)27-11-17/h2-6,9-12,16,29H,7-8,13H2,1H3/t16-/m0/s1
InChIKeyBZNRSDNRIUQHTL-INIZCTEOSA-N
MW520.42 g/mol
LogP4.73
Rot. Bonds5

About 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide

2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide (PubChem CID 24816244) has the molecular formula C23H20Cl2FN5O2S and a molecular weight of 520.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide
PubChem CID24816244
Molecular FormulaC23H20Cl2FN5O2S
Molecular Weight520.42 g/mol
Exact Mass519.07
IUPAC Name2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2cccc3c2cnn3-c2ccc(F)nc2)C1
InChIInChI=1S/C23H20Cl2FN5O2S/c1-14-9-15(24)10-19(25)23(14)34(32,33)29-16-7-8-30(13-16)20-3-2-4-21-18(20)12-28-31(21)17-5-6-22(26)27-11-17/h2-6,9-12,16,29H,7-8,13H2,1H3/t16-/m0/s1
InChIKeyBZNRSDNRIUQHTL-INIZCTEOSA-N
XLogP4.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide (CID 24816244) is 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2cccc3c2cnn3-c2ccc(F)nc2)C1.
What is the InChIKey of 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide?
The InChIKey is BZNRSDNRIUQHTL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20Cl2FN5O2S/c1-14-9-15(24)10-19(25)23(14)34(32,33)29-16-7-8-30(13-16)20-3-2-4-21-18(20)12-28-31(21)17-5-6-22(26)27-11-17/h2-6,9-12,16,29H,7-8,13H2,1H3/t16-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide?
2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide has a molecular weight of 520.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 24816244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).