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

C14H14F2N4OS — CID 154653202

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide
SMILESCC(C)n1cc(S(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1
InChIInChI=1S/C14H14F2N4OS/c1-8(2)20-7-9(5-18-20)22(21)19-14-6-17-13-4-12(16)11(15)3-10(13)14/h3-8,17,19H,1-2H3
InChIKeyKNTBPZFNUIZXME-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.36
Rot. Bonds4

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

N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide (PubChem CID 154653202) has the molecular formula C14H14F2N4OS and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide
PubChem CID154653202
Molecular FormulaC14H14F2N4OS
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide
SMILESCC(C)n1cc(S(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1
InChIInChI=1S/C14H14F2N4OS/c1-8(2)20-7-9(5-18-20)22(21)19-14-6-17-13-4-12(16)11(15)3-10(13)14/h3-8,17,19H,1-2H3
InChIKeyKNTBPZFNUIZXME-UHFFFAOYSA-N
XLogP3.36
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-sulfinamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide (CID 154653202) is N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide is CC(C)n1cc(S(=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-sulfinamide?
The InChIKey is KNTBPZFNUIZXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4OS/c1-8(2)20-7-9(5-18-20)22(21)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-sulfinamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfinamide has a molecular weight of 324.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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-sulfinamide is sourced from PubChem (CID 154653202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).