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

C15H16ClN3O3S2 — CID 53076904

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16ClN3O3S2/c16-11-2-1-3-12(10-11)18-5-7-19(8-6-18)24(21,22)13-4-9-23-14(13)15(17)20/h1-4,9-10H,5-8H2,(H2,17,20)
InChIKeyQDKDIFKJBKHNTH-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.01
Rot. Bonds4

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

3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 53076904) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID53076904
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16ClN3O3S2/c16-11-2-1-3-12(10-11)18-5-7-19(8-6-18)24(21,22)13-4-9-23-14(13)15(17)20/h1-4,9-10H,5-8H2,(H2,17,20)
InChIKeyQDKDIFKJBKHNTH-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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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076897
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
N-butyl-3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076901
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515867
methyl 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carbonyl]amino]benzoate
CID 50928521
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
N-(3-cyanophenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076838
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375353
N-butyl-3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076889
N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 53076904) is 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is NC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is QDKDIFKJBKHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c16-11-2-1-3-12(10-11)18-5-7-19(8-6-18)24(21,22)13-4-9-23-14(13)15(17)20/h1-4,9-10H,5-8H2,(H2,17,20).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
3-[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 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53076904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).