1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide

C18H14F2N4O2S — CID 154653206

IUPAC1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H14F2N4O2S/c19-15-6-14-17(7-16(15)20)21-9-18(14)23-27(25,26)13-8-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11,21,23H,10H2
InChIKeyIBXCLBBZYRXJJK-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.49
Rot. Bonds5

About 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide

1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide (PubChem CID 154653206) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
PubChem CID154653206
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC Name1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H14F2N4O2S/c19-15-6-14-17(7-16(15)20)21-9-18(14)23-27(25,26)13-8-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11,21,23H,10H2
InChIKeyIBXCLBBZYRXJJK-UHFFFAOYSA-N
XLogP3.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide (CID 154653206) is 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is IBXCLBBZYRXJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c19-15-6-14-17(7-16(15)20)21-9-18(14)23-27(25,26)13-8-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11,21,23H,10H2.
What are the key properties of 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide?
1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 388.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 154653206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).