4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C16H15F3N2O3S2 — CID 50777672

IUPAC4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1)N1CCCC1
InChIInChI=1S/C16H15F3N2O3S2/c17-16(18,19)12-3-5-13(6-4-12)20-26(23,24)14-9-11(10-25-14)15(22)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2
InChIKeyJLUKOAFDVPAQFE-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.80
Rot. Bonds4

About 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 50777672) has the molecular formula C16H15F3N2O3S2 and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID50777672
Molecular FormulaC16H15F3N2O3S2
Molecular Weight404.44 g/mol
Exact Mass404.05
IUPAC Name4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1)N1CCCC1
InChIInChI=1S/C16H15F3N2O3S2/c17-16(18,19)12-3-5-13(6-4-12)20-26(23,24)14-9-11(10-25-14)15(22)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2
InChIKeyJLUKOAFDVPAQFE-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777456
4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 162550003
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
5-[[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 56556507
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 50777672) is 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=C(c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1)N1CCCC1.
What is the InChIKey of 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is JLUKOAFDVPAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S2/c17-16(18,19)12-3-5-13(6-4-12)20-26(23,24)14-9-11(10-25-14)15(22)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2.
What are the key properties of 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 404.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 50777672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).