2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide

C22H17Cl2FN4O3S — CID 23401811

IUPAC2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2[nH]ncc2c1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H17Cl2FN4O3S/c1-13(22(30)27-17-5-9-20-14(10-17)12-26-28-20)29(21-11-16(24)4-8-19(21)25)33(31,32)18-6-2-15(23)3-7-18/h2-13H,1H3,(H,26,28)(H,27,30)
InChIKeyNACXUKQESLTHNO-UHFFFAOYSA-N
MW507.37 g/mol
LogP5.23
Rot. Bonds6

About 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide

2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide (PubChem CID 23401811) has the molecular formula C22H17Cl2FN4O3S and a molecular weight of 507.37 g/mol. Its IUPAC name is 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide
PubChem CID23401811
Molecular FormulaC22H17Cl2FN4O3S
Molecular Weight507.37 g/mol
Exact Mass506.04
IUPAC Name2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2[nH]ncc2c1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H17Cl2FN4O3S/c1-13(22(30)27-17-5-9-20-14(10-17)12-26-28-20)29(21-11-16(24)4-8-19(21)25)33(31,32)18-6-2-15(23)3-7-18/h2-13H,1H3,(H,26,28)(H,27,30)
InChIKeyNACXUKQESLTHNO-UHFFFAOYSA-N
XLogP5.23
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide?
The IUPAC name of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide (CID 23401811) is 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide.
What is the SMILES notation for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide?
The canonical SMILES for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide is CC(C(=O)Nc1ccc2[nH]ncc2c1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide?
The InChIKey is NACXUKQESLTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN4O3S/c1-13(22(30)27-17-5-9-20-14(10-17)12-26-28-20)29(21-11-16(24)4-8-19(21)25)33(31,32)18-6-2-15(23)3-7-18/h2-13H,1H3,(H,26,28)(H,27,30).
What are the key properties of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide?
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide has a molecular weight of 507.37 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(1H-indazol-5-yl)propanamide is sourced from PubChem (CID 23401811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).