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

C19H21FN4O2S — CID 73331800

IUPACN-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C19H21FN4O2S/c20-13-6-8-14(9-7-13)21-19-17-12-16(10-11-18(17)22-23-19)27(25,26)24-15-4-2-1-3-5-15/h6-12,15,24H,1-5H2,(H2,21,22,23)
InChIKeyYDCRXJFXKOBVID-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.06
Rot. Bonds5

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

N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide (PubChem CID 73331800) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide
PubChem CID73331800
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C19H21FN4O2S/c20-13-6-8-14(9-7-13)21-19-17-12-16(10-11-18(17)22-23-19)27(25,26)24-15-4-2-1-3-5-15/h6-12,15,24H,1-5H2,(H2,21,22,23)
InChIKeyYDCRXJFXKOBVID-UHFFFAOYSA-N
XLogP4.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide (CID 73331800) is N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide is O=S(=O)(NC1CCCCC1)c1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
The InChIKey is YDCRXJFXKOBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c20-13-6-8-14(9-7-13)21-19-17-12-16(10-11-18(17)22-23-19)27(25,26)24-15-4-2-1-3-5-15/h6-12,15,24H,1-5H2,(H2,21,22,23).
What are the key properties of N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide?
N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide has a molecular weight of 388.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-fluoroanilino)-1H-indazole-5-sulfonamide is sourced from PubChem (CID 73331800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).