N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C24H30ClN3O4S — CID 46349259

IUPACN-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H30ClN3O4S/c1-32-22-11-9-19(25)17-20(22)26-24(29)18-8-10-21(27-12-4-2-5-13-27)23(16-18)33(30,31)28-14-6-3-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,26,29)
InChIKeyPZRGQAAMUSHMRB-UHFFFAOYSA-N
MW492.04 g/mol
LogP4.77
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 46349259) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID46349259
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H30ClN3O4S/c1-32-22-11-9-19(25)17-20(22)26-24(29)18-8-10-21(27-12-4-2-5-13-27)23(16-18)33(30,31)28-14-6-3-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,26,29)
InChIKeyPZRGQAAMUSHMRB-UHFFFAOYSA-N
XLogP4.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349261
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349213
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
methyl 2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 46349228
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4796502
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 46349259) is N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PZRGQAAMUSHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-32-22-11-9-19(25)17-20(22)26-24(29)18-8-10-21(27-12-4-2-5-13-27)23(16-18)33(30,31)28-14-6-3-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,26,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 492.04 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46349259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).