6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide

C26H28ClN3O5S — CID 146613770

IUPAC6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Oc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C26H28ClN3O5S/c1-29(2)36(31,32)23-16-25(35-22-7-8-24-18(15-22)11-14-33-24)26(28-17-23)30-12-9-21(10-13-30)34-20-5-3-19(27)4-6-20/h3-8,15-17,21H,9-14H2,1-2H3
InChIKeyLWAMAVUKKUIRDE-UHFFFAOYSA-N
MW530.05 g/mol
LogP4.76
Rot. Bonds7

About 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 146613770) has the molecular formula C26H28ClN3O5S and a molecular weight of 530.05 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID146613770
Molecular FormulaC26H28ClN3O5S
Molecular Weight530.05 g/mol
Exact Mass529.14
IUPAC Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Oc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C26H28ClN3O5S/c1-29(2)36(31,32)23-16-25(35-22-7-8-24-18(15-22)11-14-33-24)26(28-17-23)30-12-9-21(10-13-30)34-20-5-3-19(27)4-6-20/h3-8,15-17,21H,9-14H2,1-2H3
InChIKeyLWAMAVUKKUIRDE-UHFFFAOYSA-N
XLogP4.76
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.05
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 146613771
6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164609128
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-5-(4-ethoxyphenoxy)-N,N-dimethylpyridine-3-sulfonamide
CID 164608986
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-[5-chloro-3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 11691919
3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylbenzenesulfonamide
CID 23122592
N-[5-chloro-3-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-2-pyridinyl]-2-methylbenzenesulfonamide
CID 23122886
N-[[6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]sulfanyl]-N-methylmethanamine
CID 146613778
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide;2,3-dihydro-1-benzofuran-5-amine
CID 153586451
5-(4-ethoxyphenoxy)-N,N-dimethyl-6-[4-(4-methylphenoxy)piperidin-1-yl]pyridine-3-sulfonamide
CID 153586453

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide (CID 146613770) is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Oc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is LWAMAVUKKUIRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O5S/c1-29(2)36(31,32)23-16-25(35-22-7-8-24-18(15-22)11-14-33-24)26(28-17-23)30-12-9-21(10-13-30)34-20-5-3-19(27)4-6-20/h3-8,15-17,21H,9-14H2,1-2H3.
What are the key properties of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide?
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 530.05 g/mol, XLogP of 4.76, 7 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-(2,3-dihydro-1-benzofuran-5-yloxy)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 146613770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).