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

C26H31ClN4O4S — CID 164611706

IUPAC6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Nc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H31ClN4O4S/c1-4-34-21-11-7-20(8-12-21)29-25-17-24(36(32,33)30(2)3)18-28-26(25)31-15-13-23(14-16-31)35-22-9-5-19(27)6-10-22/h5-12,17-18,23,29H,4,13-16H2,1-3H3
InChIKeyMNKMEQVHMMDAPH-UHFFFAOYSA-N
MW531.08 g/mol
LogP5.18
Rot. Bonds9

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

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 164611706) has the molecular formula C26H31ClN4O4S and a molecular weight of 531.08 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID164611706
Molecular FormulaC26H31ClN4O4S
Molecular Weight531.08 g/mol
Exact Mass530.18
IUPAC Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCOc1ccc(Nc2cc(S(=O)(=O)N(C)C)cnc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H31ClN4O4S/c1-4-34-21-11-7-20(8-12-21)29-25-17-24(36(32,33)30(2)3)18-28-26(25)31-15-13-23(14-16-31)35-22-9-5-19(27)6-10-22/h5-12,17-18,23,29H,4,13-16H2,1-3H3
InChIKeyMNKMEQVHMMDAPH-UHFFFAOYSA-N
XLogP5.18
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.08
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide;hydrochloride
CID 11983308
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-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 146613773
5-(1,3-benzodioxol-5-ylamino)-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 146613774
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
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
N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 4236121
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propoxyanilino)pyridine-3-sulfonamide
CID 164613148
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide
CID 164627228
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-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide (CID 164611706) is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide is CCOc1ccc(Nc2cc(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-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is MNKMEQVHMMDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4S/c1-4-34-21-11-7-20(8-12-21)29-25-17-24(36(32,33)30(2)3)18-28-26(25)31-15-13-23(14-16-31)35-22-9-5-19(27)6-10-22/h5-12,17-18,23,29H,4,13-16H2,1-3H3.
What are the key properties of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide?
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 531.08 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 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-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 164611706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).