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

C8H11F3N2O2S — CID 159847586

IUPACN-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
SMILESCC[C@H](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/t7-/m0/s1
InChIKeyNPMYLESSHUQPPY-ZETCQYMHSA-N
MW256.25 g/mol
LogP1.63
Rot. Bonds4

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

N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide (PubChem CID 159847586) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
PubChem CID159847586
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC NameN-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
SMILESCC[C@H](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/t7-/m0/s1
InChIKeyNPMYLESSHUQPPY-ZETCQYMHSA-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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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 65193019
4-(triazol-2-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
CID 166300334
N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
CID 106288400
3-hydroxy-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294291
4-bromo-N-[(2S)-1,1,1-trifluorobutan-2-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 121302009
4-bromo-2-fluoro-N-[(2S)-1,1,1-trifluorobutan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 121302089
4-bromo-3-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 121311876
4-phenyl-4-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 60827707
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
1-ethyl-N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrrole-3-sulfonamide
CID 174886382
3-phenyl-3-(1H-pyrrol-3-ylsulfonylamino)propanoic acid
CID 43294270

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide (CID 159847586) is N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide is CC[C@H](NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide?
The InChIKey is NPMYLESSHUQPPY-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide?
N-[(2S)-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-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 159847586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).