N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O5S — CID 26620585

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-13-17(19(28-2)12-16(18)21)22-20(24)14-7-6-8-15(11-14)29(25,26)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKeyLONQHWVXVZRHSG-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.78
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26620585) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26620585
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-27-18-13-17(19(28-2)12-16(18)21)22-20(24)14-7-6-8-15(11-14)29(25,26)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKeyLONQHWVXVZRHSG-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 43925690
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 1300430
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 26620585) is N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LONQHWVXVZRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-18-13-17(19(28-2)12-16(18)21)22-20(24)14-7-6-8-15(11-14)29(25,26)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 438.93 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26620585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).