2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol

C19H26N2O4S — CID 16644919

IUPAC2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c2ccccc12
InChIInChI=1S/C19H26N2O4S/c1-2-15-25-18-7-8-19(17-6-4-3-5-16(17)18)26(23,24)21-11-9-20(10-12-21)13-14-22/h3-8,22H,2,9-15H2,1H3
InChIKeyFVVCKJYOBZLSAX-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.93
Rot. Bonds7

About 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol

2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 16644919) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol
PubChem CID16644919
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c2ccccc12
InChIInChI=1S/C19H26N2O4S/c1-2-15-25-18-7-8-19(17-6-4-3-5-16(17)18)26(23,24)21-11-9-20(10-12-21)13-14-22/h3-8,22H,2,9-15H2,1H3
InChIKeyFVVCKJYOBZLSAX-UHFFFAOYSA-N
XLogP1.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-pentoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanone
CID 16645251
2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine
CID 16645000
1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669820
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053269
1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975042
1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane
CID 53384704
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784
2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501290
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
4-butoxynaphthalene-1-sulfonamide
CID 43342503
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
(2,3-dichlorophenyl) 4-propoxynaphthalene-1-sulfonate
CID 7574368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol (CID 16644919) is 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol is CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c2ccccc12.
What is the InChIKey of 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is FVVCKJYOBZLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-2-15-25-18-7-8-19(17-6-4-3-5-16(17)18)26(23,24)21-11-9-20(10-12-21)13-14-22/h3-8,22H,2,9-15H2,1H3.
What are the key properties of 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 378.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 16644919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).