2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol

C13H19ClN2O4S — CID 16644901

IUPAC2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCOc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-20-13-10-11(2-3-12(13)14)21(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyZVQFNOOSNXBGFV-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.65
Rot. Bonds5

About 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 16644901) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID16644901
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCOc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-20-13-10-11(2-3-12(13)14)21(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyZVQFNOOSNXBGFV-UHFFFAOYSA-N
XLogP0.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 113073624
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56521180
1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 6734614

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol (CID 16644901) is 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol is COc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl.
What is the InChIKey of 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is ZVQFNOOSNXBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-20-13-10-11(2-3-12(13)14)21(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3.
What are the key properties of 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 334.83 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 16644901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).