[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide

C12H17F2N3O3S — CID 118760689

IUPAC[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CS(N)(=O)=O)C2)n1C(F)F
InChIInChI=1S/C12H17F2N3O3S/c1-8-2-3-10(17(8)12(13)14)11(18)16-5-4-9(6-16)7-21(15,19)20/h2-3,9,12H,4-7H2,1H3,(H2,15,19,20)
InChIKeyIAFCSFMAAPBXHJ-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.94
Rot. Bonds4

About [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide

[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 118760689) has the molecular formula C12H17F2N3O3S and a molecular weight of 321.35 g/mol. Its IUPAC name is [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID118760689
Molecular FormulaC12H17F2N3O3S
Molecular Weight321.35 g/mol
Exact Mass321.10
IUPAC Name[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CS(N)(=O)=O)C2)n1C(F)F
InChIInChI=1S/C12H17F2N3O3S/c1-8-2-3-10(17(8)12(13)14)11(18)16-5-4-9(6-16)7-21(15,19)20/h2-3,9,12H,4-7H2,1H3,(H2,15,19,20)
InChIKeyIAFCSFMAAPBXHJ-UHFFFAOYSA-N
XLogP0.94
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 62063026
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138810944
[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
[(3S)-1-[3-(3-aminopropoxy)-4-methylbenzoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126452301
3-methoxy-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 126427180
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276
[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138024559

Frequently Asked Questions

What is the IUPAC name of [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 118760689) is [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide is Cc1ccc(C(=O)N2CCC(CS(N)(=O)=O)C2)n1C(F)F.
What is the InChIKey of [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IAFCSFMAAPBXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3S/c1-8-2-3-10(17(8)12(13)14)11(18)16-5-4-9(6-16)7-21(15,19)20/h2-3,9,12H,4-7H2,1H3,(H2,15,19,20).
What are the key properties of [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 321.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 118760689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).