5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide

C12H18F3N3O2S — CID 106218661

IUPAC5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1C
InChIInChI=1S/C12H18F3N3O2S/c1-3-16-7-9-6-10(8-18(9)2)21(19,20)17-11(4-5-11)12(13,14)15/h6,8,16-17H,3-5,7H2,1-2H3
InChIKeyYTCMOVUHVISALI-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.51
Rot. Bonds6

About 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide

5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide (PubChem CID 106218661) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
PubChem CID106218661
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1C
InChIInChI=1S/C12H18F3N3O2S/c1-3-16-7-9-6-10(8-18(9)2)21(19,20)17-11(4-5-11)12(13,14)15/h6,8,16-17H,3-5,7H2,1-2H3
InChIKeyYTCMOVUHVISALI-UHFFFAOYSA-N
XLogP1.51
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218768
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812
N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106060823
5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
CID 106215501
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 113489226
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106089796
3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 106209137
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 106218429
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide (CID 106218661) is 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1C.
What is the InChIKey of 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
The InChIKey is YTCMOVUHVISALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-3-16-7-9-6-10(8-18(9)2)21(19,20)17-11(4-5-11)12(13,14)15/h6,8,16-17H,3-5,7H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106218661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).