1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide

C12H19F2N3O2S — CID 115409146

IUPAC1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(F)F)cn1C1CC1
InChIInChI=1S/C12H19F2N3O2S/c1-2-15-6-10-5-11(8-17(10)9-3-4-9)20(18,19)16-7-12(13)14/h5,8-9,12,15-16H,2-4,6-7H2,1H3
InChIKeyKNAMWUBWIBCSKO-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.48
Rot. Bonds8

About 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide

1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 115409146) has the molecular formula C12H19F2N3O2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide
PubChem CID115409146
Molecular FormulaC12H19F2N3O2S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(F)F)cn1C1CC1
InChIInChI=1S/C12H19F2N3O2S/c1-2-15-6-10-5-11(8-17(10)9-3-4-9)20(18,19)16-7-12(13)14/h5,8-9,12,15-16H,2-4,6-7H2,1H3
InChIKeyKNAMWUBWIBCSKO-UHFFFAOYSA-N
XLogP1.48
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
CID 102701378
N-(2,2-difluoroethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 115409245
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-N-hexan-3-yl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106055303
1-cyclopropyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106082155
1-cyclopropyl-N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106054197
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452
1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
CID 106015962
1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106002484
4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
CID 106168338

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide (CID 115409146) is 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC(F)F)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is KNAMWUBWIBCSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2S/c1-2-15-6-10-5-11(8-17(10)9-3-4-9)20(18,19)16-7-12(13)14/h5,8-9,12,15-16H,2-4,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 115409146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).