4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide

C12H18ClN3O2S — CID 60560934

IUPAC4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
SMILESCC(c1ccc(Cl)cc1)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-10(11-2-4-12(13)5-3-11)15-6-8-16(9-7-15)19(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeySBDQUVXKZBZVEB-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.22
Rot. Bonds3

About 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide

4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide (PubChem CID 60560934) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
PubChem CID60560934
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
SMILESCC(c1ccc(Cl)cc1)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-10(11-2-4-12(13)5-3-11)15-6-8-16(9-7-15)19(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeySBDQUVXKZBZVEB-UHFFFAOYSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 71991602
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
N-[1-(4-chlorophenyl)ethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 86919652
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65055428
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 42950771
7-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]heptan-1-one
CID 119894426
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
CID 60561773
1-(3-chloro-4-methylphenyl)sulfonyl-4-[1-(3,4-dimethylphenyl)ethyl]piperazine
CID 3226741
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide (CID 60560934) is 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide is CC(c1ccc(Cl)cc1)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is SBDQUVXKZBZVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-10(11-2-4-12(13)5-3-11)15-6-8-16(9-7-15)19(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18).
What are the key properties of 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide?
4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 60560934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).