N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide

C14H18N2O4S — CID 2556261

IUPACN,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-15(2)21(19,20)13-5-3-11(4-6-13)14(18)16-9-7-12(17)8-10-16/h3-6H,7-10H2,1-2H3
InChIKeyPWIQMNCMVNWUOR-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.74
Rot. Bonds3

About N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide

N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 2556261) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
PubChem CID2556261
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-15(2)21(19,20)13-5-3-11(4-6-13)14(18)16-9-7-12(17)8-10-16/h3-6H,7-10H2,1-2H3
InChIKeyPWIQMNCMVNWUOR-UHFFFAOYSA-N
XLogP0.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 1428300
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
4-(4-oxopiperidine-1-carbonyl)benzoic acid
CID 2757374
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 8803174

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide (CID 2556261) is N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is PWIQMNCMVNWUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-15(2)21(19,20)13-5-3-11(4-6-13)14(18)16-9-7-12(17)8-10-16/h3-6H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2556261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).