N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide

C14H14F2N4O2S — CID 155009404

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1
InChIInChI=1S/C14H14F2N4O2S/c1-8(2)20-7-9(5-18-20)23(21,22)19-14-6-17-13-4-12(16)11(15)3-10(13)14/h3-8,17,19H,1-2H3
InChIKeySYQRJQIUTRDIRB-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.02
Rot. Bonds4

About N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 155009404) has the molecular formula C14H14F2N4O2S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID155009404
Molecular FormulaC14H14F2N4O2S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1
InChIInChI=1S/C14H14F2N4O2S/c1-8(2)20-7-9(5-18-20)23(21,22)19-14-6-17-13-4-12(16)11(15)3-10(13)14/h3-8,17,19H,1-2H3
InChIKeySYQRJQIUTRDIRB-UHFFFAOYSA-N
XLogP3.02
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 155009404) is N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is SYQRJQIUTRDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2S/c1-8(2)20-7-9(5-18-20)23(21,22)19-14-6-17-13-4-12(16)11(15)3-10(13)14/h3-8,17,19H,1-2H3.
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 340.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 155009404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).