N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide

C8H11F3N2O2S — CID 174971866

IUPACN-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2S/c1-2-7(8(9,10)11)13-16(14,15)6-3-4-12-5-6/h3-5,7,12-13H,2H2,1H3
InChIKeyNPMYLESSHUQPPY-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.63
Rot. Bonds4

About N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide

N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 174971866) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID174971866
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC NameN-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2S/c1-2-7(8(9,10)11)13-16(14,15)6-3-4-12-5-6/h3-5,7,12-13H,2H2,1H3
InChIKeyNPMYLESSHUQPPY-UHFFFAOYSA-N
XLogP1.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide (CID 174971866) is N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide is CCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is NPMYLESSHUQPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S/c1-2-7(8(9,10)11)13-16(14,15)6-3-4-12-5-6/h3-5,7,12-13H,2H2,1H3.
What are the key properties of N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide?
N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 256.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 174971866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).