2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide

C18H21N3O4S — CID 58924135

IUPAC2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCOC1CCN(C(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)CC1
InChIInChI=1S/C18H21N3O4S/c1-25-15-8-11-21(12-9-15)18(22)16-6-2-3-7-17(16)26(23,24)20-14-5-4-10-19-13-14/h2-7,10,13,15,20H,8-9,11-12H2,1H3
InChIKeyBURFYGDOBPEGQD-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.13
Rot. Bonds5

About 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide

2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 58924135) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID58924135
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCOC1CCN(C(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)CC1
InChIInChI=1S/C18H21N3O4S/c1-25-15-8-11-21(12-9-15)18(22)16-6-2-3-7-17(16)26(23,24)20-14-5-4-10-19-13-14/h2-7,10,13,15,20H,8-9,11-12H2,1H3
InChIKeyBURFYGDOBPEGQD-UHFFFAOYSA-N
XLogP2.13
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide
CID 58924251
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
CID 58924081
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924259
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42123110

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide (CID 58924135) is 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide is COC1CCN(C(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)CC1.
What is the InChIKey of 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is BURFYGDOBPEGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-15-8-11-21(12-9-15)18(22)16-6-2-3-7-17(16)26(23,24)20-14-5-4-10-19-13-14/h2-7,10,13,15,20H,8-9,11-12H2,1H3.
What are the key properties of 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide?
2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 58924135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).