1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide

C9H13F3N2O2S — CID 174789252

IUPAC1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
SMILESCc1cn(C)cc1S(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2S/c1-6-4-14(3)5-8(6)17(15,16)13-7(2)9(10,11)12/h4-5,7,13H,1-3H3
InChIKeyPMBMNMLIBFUMIB-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.56
Rot. Bonds3

About 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide

1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide (PubChem CID 174789252) has the molecular formula C9H13F3N2O2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
PubChem CID174789252
Molecular FormulaC9H13F3N2O2S
Molecular Weight270.28 g/mol
Exact Mass270.06
IUPAC Name1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
SMILESCc1cn(C)cc1S(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2S/c1-6-4-14(3)5-8(6)17(15,16)13-7(2)9(10,11)12/h4-5,7,13H,1-3H3
InChIKeyPMBMNMLIBFUMIB-UHFFFAOYSA-N
XLogP1.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2,4-dimethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188676
methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
4-chloro-1-cyclopropyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
CID 141430871
2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
CID 141430869
3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 138659120
2-chloro-4-methyl-3-(trifluoromethoxy)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188481
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294824
N-(3-chloro-4,5-difluorophenyl)-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294880
3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide (CID 174789252) is 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide is Cc1cn(C)cc1S(=O)(=O)NC(C)C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide?
The InChIKey is PMBMNMLIBFUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S/c1-6-4-14(3)5-8(6)17(15,16)13-7(2)9(10,11)12/h4-5,7,13H,1-3H3.
What are the key properties of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide?
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide has a molecular weight of 270.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 174789252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).