2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide

C21H14Cl2F4N4O2S — CID 24960192

IUPAC2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C21H14Cl2F4N4O2S/c22-13-8-16(23)19(17(28)9-13)34(32,33)30-20(21(25,26)27)11-1-6-18-12(7-11)10-29-31(18)15-4-2-14(24)3-5-15/h1-10,20,30H,28H2
InChIKeyFGMQCFCUFFKWDW-UHFFFAOYSA-N
MW533.33 g/mol
LogP5.64
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide

2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 24960192) has the molecular formula C21H14Cl2F4N4O2S and a molecular weight of 533.33 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
PubChem CID24960192
Molecular FormulaC21H14Cl2F4N4O2S
Molecular Weight533.33 g/mol
Exact Mass532.02
IUPAC Name2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C21H14Cl2F4N4O2S/c22-13-8-16(23)19(17(28)9-13)34(32,33)30-20(21(25,26)27)11-1-6-18-12(7-11)10-29-31(18)15-4-2-14(24)3-5-15/h1-10,20,30H,28H2
InChIKeyFGMQCFCUFFKWDW-UHFFFAOYSA-N
XLogP5.64
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.33
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide (CID 24960192) is 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.
What is the InChIKey of 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is FGMQCFCUFFKWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F4N4O2S/c22-13-8-16(23)19(17(28)9-13)34(32,33)30-20(21(25,26)27)11-1-6-18-12(7-11)10-29-31(18)15-4-2-14(24)3-5-15/h1-10,20,30H,28H2.
What are the key properties of 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 533.33 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24960192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).