1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide

C16H18F2N4O2S — CID 155009378

IUPAC1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide
SMILESCCCCn1cc(S(=O)(=O)Nc2c[nH]c3cc(F)c(F)cc23)c(C)n1
InChIInChI=1S/C16H18F2N4O2S/c1-3-4-5-22-9-16(10(2)20-22)25(23,24)21-15-8-19-14-7-13(18)12(17)6-11(14)15/h6-9,19,21H,3-5H2,1-2H3
InChIKeyCWFADTVLRVMSIT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.55
Rot. Bonds6

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

1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide (PubChem CID 155009378) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide
PubChem CID155009378
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide
SMILESCCCCn1cc(S(=O)(=O)Nc2c[nH]c3cc(F)c(F)cc23)c(C)n1
InChIInChI=1S/C16H18F2N4O2S/c1-3-4-5-22-9-16(10(2)20-22)25(23,24)21-15-8-19-14-7-13(18)12(17)6-11(14)15/h6-9,19,21H,3-5H2,1-2H3
InChIKeyCWFADTVLRVMSIT-UHFFFAOYSA-N
XLogP3.55
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide (CID 155009378) is 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide is CCCCn1cc(S(=O)(=O)Nc2c[nH]c3cc(F)c(F)cc23)c(C)n1.
What is the InChIKey of 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is CWFADTVLRVMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-3-4-5-22-9-16(10(2)20-22)25(23,24)21-15-8-19-14-7-13(18)12(17)6-11(14)15/h6-9,19,21H,3-5H2,1-2H3.
What are the key properties of 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide?
1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 368.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(5,6-difluoro-1H-indol-3-yl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 155009378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).