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

C26H28ClN3O4S — CID 146613771

IUPAC6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C26H28ClN3O4S/c1-29(2)35(31,32)23-16-24(18-3-8-25-19(15-18)11-14-33-25)26(28-17-23)30-12-9-22(10-13-30)34-21-6-4-20(27)5-7-21/h3-8,15-17,22H,9-14H2,1-2H3
InChIKeyRNMTWSKQQDZXAT-UHFFFAOYSA-N
MW514.05 g/mol
LogP4.64
Rot. Bonds6

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

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 146613771) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID146613771
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC Name6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C26H28ClN3O4S/c1-29(2)35(31,32)23-16-24(18-3-8-25-19(15-18)11-14-33-25)26(28-17-23)30-12-9-22(10-13-30)34-21-6-4-20(27)5-7-21/h3-8,15-17,22H,9-14H2,1-2H3
InChIKeyRNMTWSKQQDZXAT-UHFFFAOYSA-N
XLogP4.64
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.05
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-yloxy)-N,N-dimethylpyridine-3-sulfonamide
CID 146613770
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 146613773
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylphenyl)pyridine-3-sulfonamide
CID 164618436
3-Chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 25253002
(3S)-5-chloro-3-[(4-methoxyphenyl)methyl]-3-methyl-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridine
CID 162398602
5-[4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine
CID 24732918
5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine
CID 24732920
5-Chloro-2-[4-[[4-(1-methylsulfonylpiperidin-4-yl)phenoxy]methyl]piperidin-1-yl]pyridine
CID 25253156
5-chloro-2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]pyridine
CID 68211783
5-methyl-2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]pyridine
CID 71287477
N-(5-chloro-3-methylpyridin-2-yl)-N-isobutyl-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide
CID 72194556

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide (CID 146613771) is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-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-yl)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is RNMTWSKQQDZXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-29(2)35(31,32)23-16-24(18-3-8-25-19(15-18)11-14-33-25)26(28-17-23)30-12-9-22(10-13-30)34-21-6-4-20(27)5-7-21/h3-8,15-17,22H,9-14H2,1-2H3.
What are the key properties of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide?
6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 514.05 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-yl)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 146613771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).