N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide

C18H19FN4O2S — CID 73331802

IUPACN-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H19FN4O2S/c19-12-5-7-13(8-6-12)20-18-16-11-15(9-10-17(16)21-22-18)26(24,25)23-14-3-1-2-4-14/h5-11,14,23H,1-4H2,(H2,20,21,22)
InChIKeyMRLCLXIULMDINO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds5

About N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide

N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide (PubChem CID 73331802) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide
PubChem CID73331802
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H19FN4O2S/c19-12-5-7-13(8-6-12)20-18-16-11-15(9-10-17(16)21-22-18)26(24,25)23-14-3-1-2-4-14/h5-11,14,23H,1-4H2,(H2,20,21,22)
InChIKeyMRLCLXIULMDINO-UHFFFAOYSA-N
XLogP3.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide (CID 73331802) is N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide is O=S(=O)(NC1CCCC1)c1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
The InChIKey is MRLCLXIULMDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c19-12-5-7-13(8-6-12)20-18-16-11-15(9-10-17(16)21-22-18)26(24,25)23-14-3-1-2-4-14/h5-11,14,23H,1-4H2,(H2,20,21,22).
What are the key properties of N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide is sourced from PubChem (CID 73331802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).