N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide

C10H16ClN3O2S2 — CID 106048154

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H16ClN3O2S2/c11-10-2-1-9(17-10)3-4-13-18(15,16)14-7-5-12-6-8-14/h1-2,12-13H,3-8H2
InChIKeyARCYPJFNEWXZEC-UHFFFAOYSA-N
MW309.84 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide

N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 106048154) has the molecular formula C10H16ClN3O2S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
PubChem CID106048154
Molecular FormulaC10H16ClN3O2S2
Molecular Weight309.84 g/mol
Exact Mass309.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H16ClN3O2S2/c11-10-2-1-9(17-10)3-4-13-18(15,16)14-7-5-12-6-8-14/h1-2,12-13H,3-8H2
InChIKeyARCYPJFNEWXZEC-UHFFFAOYSA-N
XLogP0.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 106047885
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CID 47165136
N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61237119
N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 79755749
N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
CID 28775779
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
CID 106046612
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide (CID 106048154) is N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide is O=S(=O)(NCCc1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is ARCYPJFNEWXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S2/c11-10-2-1-9(17-10)3-4-13-18(15,16)14-7-5-12-6-8-14/h1-2,12-13H,3-8H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 309.84 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 106048154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).