4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide

C17H20F3N3O4S — CID 34162390

IUPAC4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(F)(F)F)n(C)c1
InChIInChI=1S/C17H20F3N3O4S/c1-4-23(5-2)28(25,26)12-10-14(22(3)11-12)16(24)21-13-8-6-7-9-15(13)27-17(18,19)20/h6-11H,4-5H2,1-3H3,(H,21,24)
InChIKeyBQFJJJODNFMKCI-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.21
Rot. Bonds7

About 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide

4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide (PubChem CID 34162390) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
PubChem CID34162390
Molecular FormulaC17H20F3N3O4S
Molecular Weight419.43 g/mol
Exact Mass419.11
IUPAC Name4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(F)(F)F)n(C)c1
InChIInChI=1S/C17H20F3N3O4S/c1-4-23(5-2)28(25,26)12-10-14(22(3)11-12)16(24)21-13-8-6-7-9-15(13)27-17(18,19)20/h6-11H,4-5H2,1-3H3,(H,21,24)
InChIKeyBQFJJJODNFMKCI-UHFFFAOYSA-N
XLogP3.21
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide
CID 34144529
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55463014
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
4-(diethylsulfamoyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55677164
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 43060756
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
[2-(difluoromethoxy)phenyl]methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46544901
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 34289405
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide (CID 34162390) is 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(F)(F)F)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
The InChIKey is BQFJJJODNFMKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S/c1-4-23(5-2)28(25,26)12-10-14(22(3)11-12)16(24)21-13-8-6-7-9-15(13)27-17(18,19)20/h6-11H,4-5H2,1-3H3,(H,21,24).
What are the key properties of 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide?
4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 34162390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).