N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide

C21H25ClN2O4S — CID 55417929

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25ClN2O4S/c1-23(15-16-14-17(22)10-11-19(16)28-2)21(25)18-8-4-5-9-20(18)29(26,27)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKeyLAXSBBCAVLNJLY-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.80
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55417929) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55417929
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25ClN2O4S/c1-23(15-16-14-17(22)10-11-19(16)28-2)21(25)18-8-4-5-9-20(18)29(26,27)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKeyLAXSBBCAVLNJLY-UHFFFAOYSA-N
XLogP3.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55549584
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55336076
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55396039
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 17426865
2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-5-nitro-2-piperidin-1-ylbenzamide
CID 55417784
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide (CID 55417929) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LAXSBBCAVLNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-23(15-16-14-17(22)10-11-19(16)28-2)21(25)18-8-4-5-9-20(18)29(26,27)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 436.96 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55417929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).