N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide

C14H18Cl2N2O3S — CID 91948739

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3S/c1-21-13-6-11(16)14(7-10(13)15)22(19,20)17-12-8-18-4-2-9(12)3-5-18/h6-7,9,12,17H,2-5,8H2,1H3
InChIKeyLXELIBTYPONGCK-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.37
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide (PubChem CID 91948739) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
PubChem CID91948739
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3S/c1-21-13-6-11(16)14(7-10(13)15)22(19,20)17-12-8-18-4-2-9(12)3-5-18/h6-7,9,12,17H,2-5,8H2,1H3
InChIKeyLXELIBTYPONGCK-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzenesulfonamide
CID 43108428
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 9266608
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylbenzenesulfonamide
CID 43101359
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
CID 3980105
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
3-(2,5-dichloro-4-methoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989439
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide (CID 91948739) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)NC2CN3CCC2CC3)cc1Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The InChIKey is LXELIBTYPONGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-21-13-6-11(16)14(7-10(13)15)22(19,20)17-12-8-18-4-2-9(12)3-5-18/h6-7,9,12,17H,2-5,8H2,1H3.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide has a molecular weight of 365.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 91948739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).