(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol

C16H19ClN2O3S2 — CID 9248163

IUPAC(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(21,22)19-10-8-18(9-11-19)12-14(20)13-4-2-1-3-5-13/h1-7,14,20H,8-12H2/t14-/m1/s1
InChIKeyNQYXGXZPSRRQTJ-CQSZACIVSA-N
MW386.93 g/mol
LogP2.44
Rot. Bonds5

About (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol

(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 9248163) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID9248163
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(21,22)19-10-8-18(9-11-19)12-14(20)13-4-2-1-3-5-13/h1-7,14,20H,8-12H2/t14-/m1/s1
InChIKeyNQYXGXZPSRRQTJ-CQSZACIVSA-N
XLogP2.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 55365337
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 45029631
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-phenylethylamino)ethanone
CID 112796511
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 26679152
4-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]butanoic acid
CID 119135118
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 9248163) is (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol is O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is NQYXGXZPSRRQTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(21,22)19-10-8-18(9-11-19)12-14(20)13-4-2-1-3-5-13/h1-7,14,20H,8-12H2/t14-/m1/s1.
What are the key properties of (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol?
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 386.93 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 9248163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).