5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide

C16H18ClN3O3S2 — CID 120739064

IUPAC5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3O3S2/c1-18-25(22,23)11-8-15(24-10-11)16(21)20-7-6-19-9-14(20)12-4-2-3-5-13(12)17/h2-5,8,10,14,18-19H,6-7,9H2,1H3
InChIKeyHXDBKLWINMPXJA-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.10
Rot. Bonds4

About 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide

5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide (PubChem CID 120739064) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
PubChem CID120739064
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC Name5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3O3S2/c1-18-25(22,23)11-8-15(24-10-11)16(21)20-7-6-19-9-14(20)12-4-2-3-5-13(12)17/h2-5,8,10,14,18-19H,6-7,9H2,1H3
InChIKeyHXDBKLWINMPXJA-UHFFFAOYSA-N
XLogP2.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
CID 120739287
N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride
CID 120878225
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
CID 120739264
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
CID 120994763
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 120738645
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide (CID 120739064) is 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide is CNS(=O)(=O)c1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.
What is the InChIKey of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is HXDBKLWINMPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c1-18-25(22,23)11-8-15(24-10-11)16(21)20-7-6-19-9-14(20)12-4-2-3-5-13(12)17/h2-5,8,10,14,18-19H,6-7,9H2,1H3.
What are the key properties of 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 399.93 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 120739064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).