6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide

C17H21ClN4O3S — CID 9203843

IUPAC6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C17H21ClN4O3S/c18-14-1-3-15(4-2-14)25-12-11-21-7-9-22(10-8-21)17-6-5-16(13-20-17)26(19,23)24/h1-6,13H,7-12H2,(H2,19,23,24)
InChIKeyCJYOGNCIFBDUBX-UHFFFAOYSA-N
MW396.90 g/mol
LogP1.58
Rot. Bonds6

About 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide

6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 9203843) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID9203843
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C17H21ClN4O3S/c18-14-1-3-15(4-2-14)25-12-11-21-7-9-22(10-8-21)17-6-5-16(13-20-17)26(19,23)24/h1-6,13H,7-12H2,(H2,19,23,24)
InChIKeyCJYOGNCIFBDUBX-UHFFFAOYSA-N
XLogP1.58
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
1-(4-Chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2850208
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613768
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 3639258
4-[[6-(4-Chlorophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 24981897
6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164609128
6-[4-(6-chloropyridazin-3-yl)oxypiperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164622891
1-(5-Fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 6472666
N-(5-chloropyridin-2-yl)-4-methoxybenzenesulfonamide
CID 759583
N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 4236121
1-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]pyridin-3-yl]sulfonyl-4-methylpiperazine
CID 4881868

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide (CID 9203843) is 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is CJYOGNCIFBDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c18-14-1-3-15(4-2-14)25-12-11-21-7-9-22(10-8-21)17-6-5-16(13-20-17)26(19,23)24/h1-6,13H,7-12H2,(H2,19,23,24).
What are the key properties of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide?
6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 396.90 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 9203843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).