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

C18H21ClN2O3S — CID 2451043

IUPAC(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/t18-/m0/s1
InChIKeyQRCREWPWXZUXAR-SFHVURJKSA-N
MW380.90 g/mol
LogP2.38
Rot. Bonds5

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

(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 2451043) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID2451043
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/t18-/m0/s1
InChIKeyQRCREWPWXZUXAR-SFHVURJKSA-N
XLogP2.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 71903436

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 2451043) is (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is O=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is QRCREWPWXZUXAR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/t18-/m0/s1.
What are the key properties of (1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 380.90 g/mol, XLogP of 2.38, 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-phenylethanol is sourced from PubChem (CID 2451043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).