N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

C16H18ClN3O3S2 — CID 46361154

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H18ClN3O3S2/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(21)12-18-25(22,23)16-2-1-11-24-16/h1-6,11,18H,7-10,12H2
InChIKeyPYFNUXPSOVXBRJ-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.03
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 46361154) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID46361154
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H18ClN3O3S2/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(21)12-18-25(22,23)16-2-1-11-24-16/h1-6,11,18H,7-10,12H2
InChIKeyPYFNUXPSOVXBRJ-UHFFFAOYSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15995658
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705020
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 48681561
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119663314

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 46361154) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is PYFNUXPSOVXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(21)12-18-25(22,23)16-2-1-11-24-16/h1-6,11,18H,7-10,12H2.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 399.93 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46361154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).