1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide

C12H18N2O4S2 — CID 61132771

IUPAC1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
SMILESCc1cccc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C12H18N2O4S2/c1-10-4-2-5-11(8-10)20(17,18)14-7-3-6-12(9-14)19(13,15)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,13,15,16)
InChIKeyUZRRWYLJBSUABX-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide

1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide (PubChem CID 61132771) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
PubChem CID61132771
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
SMILESCc1cccc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C12H18N2O4S2/c1-10-4-2-5-11(8-10)20(17,18)14-7-3-6-12(9-14)19(13,15)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,13,15,16)
InChIKeyUZRRWYLJBSUABX-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
CID 97257934
3-isocyanato-1-(3-methylphenyl)sulfonylpiperidine
CID 24699747
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
CID 63241431
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide (CID 61132771) is 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide is Cc1cccc(S(=O)(=O)N2CCCC(S(N)(=O)=O)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is UZRRWYLJBSUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-10-4-2-5-11(8-10)20(17,18)14-7-3-6-12(9-14)19(13,15)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,13,15,16).
What are the key properties of 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide?
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 61132771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).