3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide

C15H24ClN3O2S — CID 75374970

IUPAC3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide
SMILESCC(c1ccc(Cl)cc1)N1CCN(CCCS(N)(=O)=O)CC1
InChIInChI=1S/C15H24ClN3O2S/c1-13(14-3-5-15(16)6-4-14)19-10-8-18(9-11-19)7-2-12-22(17,20)21/h3-6,13H,2,7-12H2,1H3,(H2,17,20,21)
InChIKeyKBVMCHZMARLQMH-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.70
Rot. Bonds6

About 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide

3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide (PubChem CID 75374970) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide
PubChem CID75374970
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide
SMILESCC(c1ccc(Cl)cc1)N1CCN(CCCS(N)(=O)=O)CC1
InChIInChI=1S/C15H24ClN3O2S/c1-13(14-3-5-15(16)6-4-14)19-10-8-18(9-11-19)7-2-12-22(17,20)21/h3-6,13H,2,7-12H2,1H3,(H2,17,20,21)
InChIKeyKBVMCHZMARLQMH-UHFFFAOYSA-N
XLogP1.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide (CID 75374970) is 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide is CC(c1ccc(Cl)cc1)N1CCN(CCCS(N)(=O)=O)CC1.
What is the InChIKey of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide?
The InChIKey is KBVMCHZMARLQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2S/c1-13(14-3-5-15(16)6-4-14)19-10-8-18(9-11-19)7-2-12-22(17,20)21/h3-6,13H,2,7-12H2,1H3,(H2,17,20,21).
What are the key properties of 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide?
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide has a molecular weight of 345.90 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 75374970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).