2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C12H18Cl2N2O3S — CID 119960534

IUPAC2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1.Cl
InChIInChI=1S/C12H17ClN2O3S.ClH/c1-18-10-2-3-11(13)12(8-10)19(16,17)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H
InChIKeyBPCNOCGTHSYXBG-UHFFFAOYSA-N
MW341.26 g/mol
LogP1.80
Rot. Bonds4

About 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960534) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960534
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1.Cl
InChIInChI=1S/C12H17ClN2O3S.ClH/c1-18-10-2-3-11(13)12(8-10)19(16,17)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H
InChIKeyBPCNOCGTHSYXBG-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961618
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960534) is 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is COc1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1.Cl.
What is the InChIKey of 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is BPCNOCGTHSYXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S.ClH/c1-18-10-2-3-11(13)12(8-10)19(16,17)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H.
What are the key properties of 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 341.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).