4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C10H14F3N3O4S — CID 107483821

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H14F3N3O4S/c1-15-5-7(4-8(15)9(14)18)21(19,20)16(2-3-17)6-10(11,12)13/h4-5,17H,2-3,6H2,1H3,(H2,14,18)
InChIKeyJATLQFPPZUJYNS-UHFFFAOYSA-N
MW329.30 g/mol
LogP-0.33
Rot. Bonds6

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 107483821) has the molecular formula C10H14F3N3O4S and a molecular weight of 329.30 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID107483821
Molecular FormulaC10H14F3N3O4S
Molecular Weight329.30 g/mol
Exact Mass329.07
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H14F3N3O4S/c1-15-5-7(4-8(15)9(14)18)21(19,20)16(2-3-17)6-10(11,12)13/h4-5,17H,2-3,6H2,1H3,(H2,14,18)
InChIKeyJATLQFPPZUJYNS-UHFFFAOYSA-N
XLogP-0.33
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79652333
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 54876261
2-[tert-butyl-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]acetic acid
CID 79262297
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115867593
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 107485955
4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43578740
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106608029

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 107483821) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1C(N)=O.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is JATLQFPPZUJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4S/c1-15-5-7(4-8(15)9(14)18)21(19,20)16(2-3-17)6-10(11,12)13/h4-5,17H,2-3,6H2,1H3,(H2,14,18).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 329.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 107483821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).