6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide

C26H30ClN3O5S — CID 146613768

IUPAC6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H30ClN3O5S/c1-4-33-20-9-11-22(12-10-20)35-25-17-24(36(31,32)29(2)3)18-28-26(25)30-15-13-23(14-16-30)34-21-7-5-19(27)6-8-21/h5-12,17-18,23H,4,13-16H2,1-3H3
InChIKeySBMUDUUHYSLYJB-UHFFFAOYSA-N
MW532.06 g/mol
LogP5.22
Rot. Bonds9

About 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 146613768) has the molecular formula C26H30ClN3O5S and a molecular weight of 532.06 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID146613768
Molecular FormulaC26H30ClN3O5S
Molecular Weight532.06 g/mol
Exact Mass531.16
IUPAC Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H30ClN3O5S/c1-4-33-20-9-11-22(12-10-20)35-25-17-24(36(31,32)29(2)3)18-28-26(25)30-15-13-23(14-16-30)34-21-7-5-19(27)6-8-21/h5-12,17-18,23H,4,13-16H2,1-3H3
InChIKeySBMUDUUHYSLYJB-UHFFFAOYSA-N
XLogP5.22
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.06
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613770
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 146613771
6-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 9203843
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
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164608986
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 164611706
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propoxyanilino)pyridine-3-sulfonamide
CID 164613148
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164615961
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide
CID 164627982
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 2998396

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide (CID 146613768) is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide is CCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is SBMUDUUHYSLYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O5S/c1-4-33-20-9-11-22(12-10-20)35-25-17-24(36(31,32)29(2)3)18-28-26(25)30-15-13-23(14-16-30)34-21-7-5-19(27)6-8-21/h5-12,17-18,23H,4,13-16H2,1-3H3.
What are the key properties of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 532.06 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 146613768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).