1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol

C18H23ClN2O4S2 — CID 18081696

IUPAC1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol
SMILESO=S(=O)(c1cccs1)N1CCN(CC(O)COCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN2O4S2/c19-16-5-3-15(4-6-16)13-25-14-17(22)12-20-7-9-21(10-8-20)27(23,24)18-2-1-11-26-18/h1-6,11,17,22H,7-10,12-14H2
InChIKeyYSFYIVPSDPMVLL-UHFFFAOYSA-N
MW430.98 g/mol
LogP2.29
Rot. Bonds8

About 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol (PubChem CID 18081696) has the molecular formula C18H23ClN2O4S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol
PubChem CID18081696
Molecular FormulaC18H23ClN2O4S2
Molecular Weight430.98 g/mol
Exact Mass430.08
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol
SMILESO=S(=O)(c1cccs1)N1CCN(CC(O)COCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN2O4S2/c19-16-5-3-15(4-6-16)13-25-14-17(22)12-20-7-9-21(10-8-20)27(23,24)18-2-1-11-26-18/h1-6,11,17,22H,7-10,12-14H2
InChIKeyYSFYIVPSDPMVLL-UHFFFAOYSA-N
XLogP2.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 18081693
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
2-[4-[(4-chlorophenyl)methoxy]-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 68843033
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1364925
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 6212489
(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 8761717
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 46092556

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol (CID 18081696) is 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol is O=S(=O)(c1cccs1)N1CCN(CC(O)COCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol?
The InChIKey is YSFYIVPSDPMVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4S2/c19-16-5-3-15(4-6-16)13-25-14-17(22)12-20-7-9-21(10-8-20)27(23,24)18-2-1-11-26-18/h1-6,11,17,22H,7-10,12-14H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol has a molecular weight of 430.98 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 18081696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).