N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H27FN2O3S — CID 42909107

IUPACN-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C22H27FN2O3S/c1-16-10-11-20(29(27,28)25-12-5-4-7-17(25)2)14-21(16)22(26)24(3)15-18-8-6-9-19(23)13-18/h6,8-11,13-14,17H,4-5,7,12,15H2,1-3H3
InChIKeyWODCDEPJKYJUJV-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.97
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 42909107) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID42909107
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C22H27FN2O3S/c1-16-10-11-20(29(27,28)25-12-5-4-7-17(25)2)14-21(16)22(26)24(3)15-18-8-6-9-19(23)13-18/h6,8-11,13-14,17H,4-5,7,12,15H2,1-3H3
InChIKeyWODCDEPJKYJUJV-UHFFFAOYSA-N
XLogP3.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46654602
methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
CID 46402513
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46565905
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 55363381
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55421340
N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55550998

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 42909107) is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WODCDEPJKYJUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-16-10-11-20(29(27,28)25-12-5-4-7-17(25)2)14-21(16)22(26)24(3)15-18-8-6-9-19(23)13-18/h6,8-11,13-14,17H,4-5,7,12,15H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 418.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 42909107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).