6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide

C26H31ClN4O4S — CID 164608986

IUPAC6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H31ClN4O4S/c1-4-34-22-9-11-23(12-10-22)35-25-17-24(36(32,33)29(2)3)18-28-26(25)31-15-13-30(14-16-31)19-20-5-7-21(27)8-6-20/h5-12,17-18H,4,13-16,19H2,1-3H3
InChIKeyHMWGLRIPVCQHGB-UHFFFAOYSA-N
MW531.08 g/mol
LogP4.50
Rot. Bonds9

About 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide

6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 164608986) has the molecular formula C26H31ClN4O4S and a molecular weight of 531.08 g/mol. Its IUPAC name is 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID164608986
Molecular FormulaC26H31ClN4O4S
Molecular Weight531.08 g/mol
Exact Mass530.18
IUPAC Name6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H31ClN4O4S/c1-4-34-22-9-11-23(12-10-22)35-25-17-24(36(32,33)29(2)3)18-28-26(25)31-15-13-30(14-16-31)19-20-5-7-21(27)8-6-20/h5-12,17-18H,4,13-16,19H2,1-3H3
InChIKeyHMWGLRIPVCQHGB-UHFFFAOYSA-N
XLogP4.50
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.08
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613768
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613770
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-[(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
N,N-diethyl-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 16303817
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide
CID 58246213
4-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-6-(5-methoxy-3-pyridinyl)pyrimidine
CID 172438058
3-chloro-N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]benzenesulfonamide
CID 2728398

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide (CID 164608986) is 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide is CCOc1ccc(Oc2cc(S(=O)(=O)N(C)C)cnc2N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is HMWGLRIPVCQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4S/c1-4-34-22-9-11-23(12-10-22)35-25-17-24(36(32,33)29(2)3)18-28-26(25)31-15-13-30(14-16-31)19-20-5-7-21(27)8-6-20/h5-12,17-18H,4,13-16,19H2,1-3H3.
What are the key properties of 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide?
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 531.08 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 164608986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).