2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C15H12ClF3N2O3S2 — CID 2109514

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)sc2c1CCC2
InChIInChI=1S/C15H12ClF3N2O3S2/c16-10-5-4-7(6-9(10)15(17,18)19)26(23,24)21-14-12(13(20)22)8-2-1-3-11(8)25-14/h4-6,21H,1-3H2,(H2,20,22)
InChIKeyDSNPEWAXEHDXIT-UHFFFAOYSA-N
MW424.85 g/mol
LogP3.81
Rot. Bonds4

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 2109514) has the molecular formula C15H12ClF3N2O3S2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID2109514
Molecular FormulaC15H12ClF3N2O3S2
Molecular Weight424.85 g/mol
Exact Mass423.99
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)sc2c1CCC2
InChIInChI=1S/C15H12ClF3N2O3S2/c16-10-5-4-7(6-9(10)15(17,18)19)26(23,24)21-14-12(13(20)22)8-2-1-3-11(8)25-14/h4-6,21H,1-3H2,(H2,20,22)
InChIKeyDSNPEWAXEHDXIT-UHFFFAOYSA-N
XLogP3.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_F(1)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-nitrophenyl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 19203747
2-[(4-methylphenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1220084
2-[(4-bromophenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1219705
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 43015086
methyl 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2239666
2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 35274190
2-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5215688
2-[(2,3,6-trichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19171118
methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19676668
2-[[2-[4-nitro-2-(trifluoromethyl)phenoxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 60586226
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 43343863

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 2109514) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)sc2c1CCC2.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is DSNPEWAXEHDXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S2/c16-10-5-4-7(6-9(10)15(17,18)19)26(23,24)21-14-12(13(20)22)8-2-1-3-11(8)25-14/h4-6,21H,1-3H2,(H2,20,22).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 424.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2109514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).