2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide

C13H20N2O4S2 — CID 62929979

IUPAC2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-13(2)7-9-15(10-8-13)21(18,19)12-6-4-3-5-11(12)20(14,16)17/h3-6H,7-10H2,1-2H3,(H2,14,16,17)
InChIKeyCEKIMBMNCYGOJL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.14
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide

2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 62929979) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID62929979
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-13(2)7-9-15(10-8-13)21(18,19)12-6-4-3-5-11(12)20(14,16)17/h3-6H,7-10H2,1-2H3,(H2,14,16,17)
InChIKeyCEKIMBMNCYGOJL-UHFFFAOYSA-N
XLogP1.14
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine
CID 65282986
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43342652
[3-methyl-1-(2-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777820
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
1-(2-bromo-4-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62924342
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
3-bromo-4-(4,4-dimethylazepan-1-yl)sulfonylaniline
CID 65283466

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 62929979) is 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide is CC1(C)CCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is CEKIMBMNCYGOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-13(2)7-9-15(10-8-13)21(18,19)12-6-4-3-5-11(12)20(14,16)17/h3-6H,7-10H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide?
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 62929979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).