4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

C15H16ClN3O3S2 — CID 20900817

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1
InChIInChI=1S/C15H16ClN3O3S2/c16-11-2-1-3-12(8-11)18-4-6-19(7-5-18)24(21,22)13-9-14(15(17)20)23-10-13/h1-3,8-10H,4-7H2,(H2,17,20)
InChIKeyZCTZTDMYYSRCJZ-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.01
Rot. Bonds4

About 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 20900817) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID20900817
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1
InChIInChI=1S/C15H16ClN3O3S2/c16-11-2-1-3-12(8-11)18-4-6-19(7-5-18)24(21,22)13-9-14(15(17)20)23-10-13/h1-3,8-10H,4-7H2,(H2,17,20)
InChIKeyZCTZTDMYYSRCJZ-UHFFFAOYSA-N
XLogP2.01
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 20900817) is 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is ZCTZTDMYYSRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c16-11-2-1-3-12(8-11)18-4-6-19(7-5-18)24(21,22)13-9-14(15(17)20)23-10-13/h1-3,8-10H,4-7H2,(H2,17,20).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 20900817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).