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

C13H12F3N3O4S — CID 35507297

IUPAC1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C13H12F3N3O4S/c1-19-7-10(6-11(19)12(17)20)24(21,22)18-8-2-4-9(5-3-8)23-13(14,15)16/h2-7,18H,1H3,(H2,17,20)
InChIKeySUGMEYQHAFGHSN-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.82
Rot. Bonds5

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

1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 35507297) has the molecular formula C13H12F3N3O4S and a molecular weight of 363.32 g/mol. Its IUPAC name is 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID35507297
Molecular FormulaC13H12F3N3O4S
Molecular Weight363.32 g/mol
Exact Mass363.05
IUPAC Name1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C13H12F3N3O4S/c1-19-7-10(6-11(19)12(17)20)24(21,22)18-8-2-4-9(5-3-8)23-13(14,15)16/h2-7,18H,1H3,(H2,17,20)
InChIKeySUGMEYQHAFGHSN-UHFFFAOYSA-N
XLogP1.82
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 37263793
1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 39992768
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide (CID 35507297) is 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is SUGMEYQHAFGHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4S/c1-19-7-10(6-11(19)12(17)20)24(21,22)18-8-2-4-9(5-3-8)23-13(14,15)16/h2-7,18H,1H3,(H2,17,20).
What are the key properties of 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide?
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 363.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 35507297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).