N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide

C13H20N2O4S2 — CID 859979

IUPACN,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H20N2O4S2/c1-14(2)20(16,17)12-6-8-13(9-7-12)21(18,19)15-10-4-3-5-11-15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyKEYOOCQQCOPQTB-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.11
Rot. Bonds4

About N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide

N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 859979) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID859979
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H20N2O4S2/c1-14(2)20(16,17)12-6-8-13(9-7-12)21(18,19)15-10-4-3-5-11-15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyKEYOOCQQCOPQTB-UHFFFAOYSA-N
XLogP1.11
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 28562564
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 1456757
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
4-[(3-benzyl-1,3-diazinan-1-yl)sulfonyl]-N,N-dimethylbenzenesulfonamide
CID 43816589

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 859979) is N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is KEYOOCQQCOPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-14(2)20(16,17)12-6-8-13(9-7-12)21(18,19)15-10-4-3-5-11-15/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 859979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).