1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine

C13H17ClN2O2S — CID 47454432

IUPAC1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H17ClN2O2S/c14-12-3-1-2-4-13(12)19(17,18)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10H2
InChIKeyIVHDYOSRZZCATF-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.81
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine

1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine (PubChem CID 47454432) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
PubChem CID47454432
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H17ClN2O2S/c14-12-3-1-2-4-13(12)19(17,18)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10H2
InChIKeyIVHDYOSRZZCATF-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
CID 81241270
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine;hydrochloride
CID 141183632
[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine
CID 61442784
1-(2-chlorophenyl)sulfonyl-4-(2,3-dihydro-1H-inden-1-yl)piperazine
CID 110399891
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 129269387
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine (CID 47454432) is 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine is O=S(=O)(c1ccccc1Cl)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine?
The InChIKey is IVHDYOSRZZCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-12-3-1-2-4-13(12)19(17,18)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine?
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine has a molecular weight of 300.81 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine is sourced from PubChem (CID 47454432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).