N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C21H25ClN2O3S — CID 24540046

IUPACN-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C21H25ClN2O3S/c1-16-10-12-24(13-11-16)21(25)19-14-18(8-9-20(19)22)28(26,27)23(2)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyLMFQPOMOLJIUFB-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.03
Rot. Bonds5

About N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 24540046) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID24540046
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C21H25ClN2O3S/c1-16-10-12-24(13-11-16)21(25)19-14-18(8-9-20(19)22)28(26,27)23(2)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyLMFQPOMOLJIUFB-UHFFFAOYSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
CID 41013038
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
CID 26080208
(2S)-N-benzyl-N-methyl-2-(4-methylpiperidine-1-carbonyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 95085029
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 28591390
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654403
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3879149
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
CID 16548325

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 24540046) is N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1.
What is the InChIKey of N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is LMFQPOMOLJIUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16-10-12-24(13-11-16)21(25)19-14-18(8-9-20(19)22)28(26,27)23(2)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 420.96 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 24540046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).