N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide

C7H9F3N2O2S — CID 159980594

IUPACN-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2S/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6/h2-5,11-12H,1H3/t5-/m1/s1
InChIKeyOFSHTFZQIFWDJH-RXMQYKEDSA-N
MW242.22 g/mol
LogP1.24
Rot. Bonds3

About N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide

N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide (PubChem CID 159980594) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide
PubChem CID159980594
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC NameN-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2S/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6/h2-5,11-12H,1H3/t5-/m1/s1
InChIKeyOFSHTFZQIFWDJH-RXMQYKEDSA-N
XLogP1.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide (CID 159980594) is N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide is C[C@@H](NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide?
The InChIKey is OFSHTFZQIFWDJH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6/h2-5,11-12H,1H3/t5-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide?
N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide has a molecular weight of 242.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 159980594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).