[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol

C16H18ClNO3S2 — CID 131903485

IUPAC[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C16H18ClNO3S2/c17-13-3-5-14(6-4-13)23(20,21)18-9-7-12(8-10-18)16(19)15-2-1-11-22-15/h1-6,11-12,16,19H,7-10H2
InChIKeyQTOZMEIBYWPMNV-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.54
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol

[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 131903485) has the molecular formula C16H18ClNO3S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID131903485
Molecular FormulaC16H18ClNO3S2
Molecular Weight371.91 g/mol
Exact Mass371.04
IUPAC Name[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C16H18ClNO3S2/c17-13-3-5-14(6-4-13)23(20,21)18-9-7-12(8-10-18)16(19)15-2-1-11-22-15/h1-6,11-12,16,19H,7-10H2
InChIKeyQTOZMEIBYWPMNV-UHFFFAOYSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 46151974
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93200555
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 55470701
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 1452394
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 19324347
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 4805567
(1S,3S,5S)-2-[(2S)-2-amino-2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 71566833
3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
CID 90587859
1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55907091

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol (CID 131903485) is [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol is O=S(=O)(c1ccc(Cl)cc1)N1CCC(C(O)c2cccs2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is QTOZMEIBYWPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S2/c17-13-3-5-14(6-4-13)23(20,21)18-9-7-12(8-10-18)16(19)15-2-1-11-22-15/h1-6,11-12,16,19H,7-10H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol?
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 371.91 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 131903485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).