N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide

C12H11F2N5O3S — CID 167891080

IUPACN-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc3c(c2)C(F)(F)C(=O)N3)n[nH]1
InChIInChI=1S/C12H11F2N5O3S/c1-2-9-16-11(18-17-9)19-23(21,22)6-3-4-8-7(5-6)12(13,14)10(20)15-8/h3-5H,2H2,1H3,(H,15,20)(H2,16,17,18,19)
InChIKeyYBARFXAIEMKZKY-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.21
Rot. Bonds4

About N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide (PubChem CID 167891080) has the molecular formula C12H11F2N5O3S and a molecular weight of 343.32 g/mol. Its IUPAC name is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide
PubChem CID167891080
Molecular FormulaC12H11F2N5O3S
Molecular Weight343.32 g/mol
Exact Mass343.06
IUPAC NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc3c(c2)C(F)(F)C(=O)N3)n[nH]1
InChIInChI=1S/C12H11F2N5O3S/c1-2-9-16-11(18-17-9)19-23(21,22)6-3-4-8-7(5-6)12(13,14)10(20)15-8/h3-5H,2H2,1H3,(H,15,20)(H2,16,17,18,19)
InChIKeyYBARFXAIEMKZKY-UHFFFAOYSA-N
XLogP1.21
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide (CID 167891080) is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide is CCc1nc(NS(=O)(=O)c2ccc3c(c2)C(F)(F)C(=O)N3)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is YBARFXAIEMKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O3S/c1-2-9-16-11(18-17-9)19-23(21,22)6-3-4-8-7(5-6)12(13,14)10(20)15-8/h3-5H,2H2,1H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide?
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 343.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 167891080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).