N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide

C18H22ClN3O4S — CID 171682723

IUPACN-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ncccc3Cl)CC2)cc1OC
InChIInChI=1S/C18H22ClN3O4S/c1-25-16-6-5-14(12-17(16)26-2)27(23,24)21-13-7-10-22(11-8-13)18-15(19)4-3-9-20-18/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3
InChIKeyYZEJQTWIOZJIEX-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.70
Rot. Bonds6

About N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide

N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 171682723) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID171682723
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ncccc3Cl)CC2)cc1OC
InChIInChI=1S/C18H22ClN3O4S/c1-25-16-6-5-14(12-17(16)26-2)27(23,24)21-13-7-10-22(11-8-13)18-15(19)4-3-9-20-18/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3
InChIKeyYZEJQTWIOZJIEX-UHFFFAOYSA-N
XLogP2.70
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
CID 143302191
N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559576
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide (CID 171682723) is N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(c3ncccc3Cl)CC2)cc1OC.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is YZEJQTWIOZJIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-25-16-6-5-14(12-17(16)26-2)27(23,24)21-13-7-10-22(11-8-13)18-15(19)4-3-9-20-18/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 411.91 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 171682723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).