N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine

C21H29N3O6S — CID 142206649

IUPACN-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c(C(=O)NO)c1OC.Cc1ccncc1
InChIInChI=1S/C15H22N2O6S.C6H7N/c1-10-6-8-17(9-7-10)24(20,21)12-5-4-11(22-2)14(23-3)13(12)15(18)16-19;1-6-2-4-7-5-3-6/h4-5,10,19H,6-9H2,1-3H3,(H,16,18);2-5H,1H3
InChIKeyIWBOPYWVASSEPW-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.63
Rot. Bonds5

About N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine

N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine (PubChem CID 142206649) has the molecular formula C21H29N3O6S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine.

Molecular Properties

Compound NameN-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine
PubChem CID142206649
Molecular FormulaC21H29N3O6S
Molecular Weight451.55 g/mol
Exact Mass451.18
IUPAC NameN-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c(C(=O)NO)c1OC.Cc1ccncc1
InChIInChI=1S/C15H22N2O6S.C6H7N/c1-10-6-8-17(9-7-10)24(20,21)12-5-4-11(22-2)14(23-3)13(12)15(18)16-19;1-6-2-4-7-5-3-6/h4-5,10,19H,6-9H2,1-3H3,(H,16,18);2-5H,1H3
InChIKeyIWBOPYWVASSEPW-UHFFFAOYSA-N
XLogP2.63
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
CID 20626166
6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide
CID 59096985
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 99844527
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 27700270
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591213
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
2-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 53098002
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607
1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
CID 23938829
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine?
The IUPAC name of N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine (CID 142206649) is N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine.
What is the SMILES notation for N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine?
The canonical SMILES for N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine is COc1ccc(S(=O)(=O)N2CCC(C)CC2)c(C(=O)NO)c1OC.Cc1ccncc1.
What is the InChIKey of N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine?
The InChIKey is IWBOPYWVASSEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S.C6H7N/c1-10-6-8-17(9-7-10)24(20,21)12-5-4-11(22-2)14(23-3)13(12)15(18)16-19;1-6-2-4-7-5-3-6/h4-5,10,19H,6-9H2,1-3H3,(H,16,18);2-5H,1H3.
What are the key properties of N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine?
N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine has a molecular weight of 451.55 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine is sourced from PubChem (CID 142206649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).