2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide

C8H9BrF4N2O2S — CID 141430869

IUPAC2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1c(F)cn(C)c1Br)C(F)(F)F
InChIInChI=1S/C8H9BrF4N2O2S/c1-4(8(11,12)13)14-18(16,17)6-5(10)3-15(2)7(6)9/h3-4,14H,1-2H3/t4-/m1/s1
InChIKeyBSWHZSFXXDVCLZ-SCSAIBSYSA-N
MW353.14 g/mol
LogP2.16
Rot. Bonds3

About 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide

2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide (PubChem CID 141430869) has the molecular formula C8H9BrF4N2O2S and a molecular weight of 353.14 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
PubChem CID141430869
Molecular FormulaC8H9BrF4N2O2S
Molecular Weight353.14 g/mol
Exact Mass351.95
IUPAC Name2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1c(F)cn(C)c1Br)C(F)(F)F
InChIInChI=1S/C8H9BrF4N2O2S/c1-4(8(11,12)13)14-18(16,17)6-5(10)3-15(2)7(6)9/h3-4,14H,1-2H3/t4-/m1/s1
InChIKeyBSWHZSFXXDVCLZ-SCSAIBSYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
CID 174789252
N-(3-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
N-(3-bromo-4,5-difluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 162030369
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 138659120
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155
N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123178865
4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
CID 141430871
N-(3,4-difluorophenyl)-1-methyl-3-[(E)-prop-1-enyl]-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 139462791

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide (CID 141430869) is 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide is C[C@@H](NS(=O)(=O)c1c(F)cn(C)c1Br)C(F)(F)F.
What is the InChIKey of 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
The InChIKey is BSWHZSFXXDVCLZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H9BrF4N2O2S/c1-4(8(11,12)13)14-18(16,17)6-5(10)3-15(2)7(6)9/h3-4,14H,1-2H3/t4-/m1/s1.
What are the key properties of 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide?
2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide has a molecular weight of 353.14 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 141430869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).