3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide

C16H16F2N4O2S — CID 73331958

IUPAC3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]nc(Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C16H16F2N4O2S/c1-9(2)22-25(23,24)11-4-6-15-12(8-11)16(21-20-15)19-10-3-5-13(17)14(18)7-10/h3-9,22H,1-2H3,(H2,19,20,21)
InChIKeyHERAIXWXHZXLSX-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.27
Rot. Bonds5

About 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide

3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide (PubChem CID 73331958) has the molecular formula C16H16F2N4O2S and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide
PubChem CID73331958
Molecular FormulaC16H16F2N4O2S
Molecular Weight366.39 g/mol
Exact Mass366.10
IUPAC Name3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2[nH]nc(Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C16H16F2N4O2S/c1-9(2)22-25(23,24)11-4-6-15-12(8-11)16(21-20-15)19-10-3-5-13(17)14(18)7-10/h3-9,22H,1-2H3,(H2,19,20,21)
InChIKeyHERAIXWXHZXLSX-UHFFFAOYSA-N
XLogP3.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide (CID 73331958) is 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide is CC(C)NS(=O)(=O)c1ccc2[nH]nc(Nc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide?
The InChIKey is HERAIXWXHZXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2S/c1-9(2)22-25(23,24)11-4-6-15-12(8-11)16(21-20-15)19-10-3-5-13(17)14(18)7-10/h3-9,22H,1-2H3,(H2,19,20,21).
What are the key properties of 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide?
3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide has a molecular weight of 366.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N-propan-2-yl-1H-indazole-5-sulfonamide is sourced from PubChem (CID 73331958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).