N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C21H25ClN2O4S — CID 108564145

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25ClN2O4S/c1-14-11-19(28-3)20(12-15(14)2)29(26,27)23-18-7-9-24(10-8-18)21(25)16-5-4-6-17(22)13-16/h4-6,11-13,18,23H,7-10H2,1-3H3
InChIKeyRZGMQDFFOSSMIU-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.55
Rot. Bonds5

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 108564145) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID108564145
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25ClN2O4S/c1-14-11-19(28-3)20(12-15(14)2)29(26,27)23-18-7-9-24(10-8-18)21(25)16-5-4-6-17(22)13-16/h4-6,11-13,18,23H,7-10H2,1-3H3
InChIKeyRZGMQDFFOSSMIU-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566975
(3-chlorophenyl)-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567986
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
CID 110821024
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566208
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 108564145) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is RZGMQDFFOSSMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-14-11-19(28-3)20(12-15(14)2)29(26,27)23-18-7-9-24(10-8-18)21(25)16-5-4-6-17(22)13-16/h4-6,11-13,18,23H,7-10H2,1-3H3.
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 108564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).