N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide

C24H23N3O4S — CID 72717929

IUPACN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
SMILESO=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N3O4S/c28-24(21-15-19-5-1-2-8-20(19)31-21)27-13-10-17(11-14-27)16-26-32(29,30)22-9-3-6-18-7-4-12-25-23(18)22/h1-9,12,15,17,26H,10-11,13-14,16H2
InChIKeyKCRIBRDIXQBYRS-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.81
Rot. Bonds5

About N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide

N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide (PubChem CID 72717929) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
PubChem CID72717929
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
SMILESO=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N3O4S/c28-24(21-15-19-5-1-2-8-20(19)31-21)27-13-10-17(11-14-27)16-26-32(29,30)22-9-3-6-18-7-4-12-25-23(18)22/h1-9,12,15,17,26H,10-11,13-14,16H2
InChIKeyKCRIBRDIXQBYRS-UHFFFAOYSA-N
XLogP3.81
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625324
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45178644
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71796785
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide (CID 72717929) is N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide is O=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is KCRIBRDIXQBYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-24(21-15-19-5-1-2-8-20(19)31-21)27-13-10-17(11-14-27)16-26-32(29,30)22-9-3-6-18-7-4-12-25-23(18)22/h1-9,12,15,17,26H,10-11,13-14,16H2.
What are the key properties of N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide?
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 72717929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).