(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol

C15H21ClN2O3S — CID 97039290

IUPAC(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H21ClN2O3S/c16-13-2-1-3-14(10-13)22(20,21)18-8-6-17(7-9-18)11-15(19)12-4-5-12/h1-3,10,12,15,19H,4-9,11H2/t15-/m0/s1
InChIKeyPBZNGHRYXPRSQI-HNNXBMFYSA-N
MW344.86 g/mol
LogP1.42
Rot. Bonds5

About (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol

(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol (PubChem CID 97039290) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol
PubChem CID97039290
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H21ClN2O3S/c16-13-2-1-3-14(10-13)22(20,21)18-8-6-17(7-9-18)11-15(19)12-4-5-12/h1-3,10,12,15,19H,4-9,11H2/t15-/m0/s1
InChIKeyPBZNGHRYXPRSQI-HNNXBMFYSA-N
XLogP1.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol?
The IUPAC name of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol (CID 97039290) is (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol.
What is the SMILES notation for (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol?
The canonical SMILES for (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol is O=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol?
The InChIKey is PBZNGHRYXPRSQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c16-13-2-1-3-14(10-13)22(20,21)18-8-6-17(7-9-18)11-15(19)12-4-5-12/h1-3,10,12,15,19H,4-9,11H2/t15-/m0/s1.
What are the key properties of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol?
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol has a molecular weight of 344.86 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-cyclopropylethanol is sourced from PubChem (CID 97039290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).