2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

C12H18N2O4S2 — CID 43342652

IUPAC2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C12H18N2O4S2/c1-10-5-4-8-14(9-10)20(17,18)12-7-3-2-6-11(12)19(13,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,13,15,16)
InChIKeyLPALBMAZFFFHFT-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.75
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 43342652) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID43342652
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C12H18N2O4S2/c1-10-5-4-8-14(9-10)20(17,18)12-7-3-2-6-11(12)19(13,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,13,15,16)
InChIKeyLPALBMAZFFFHFT-UHFFFAOYSA-N
XLogP0.75
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
CID 115944374
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
3-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 115993280
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 43342652) is 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is CC1CCCN(S(=O)(=O)c2ccccc2S(N)(=O)=O)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is LPALBMAZFFFHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-10-5-4-8-14(9-10)20(17,18)12-7-3-2-6-11(12)19(13,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,13,15,16).
What are the key properties of 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 43342652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).