4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

C15H24N2O6S3 — CID 90590371

IUPAC4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H24N2O6S3/c1-12(2)11-24(18,19)13-7-9-17(10-8-13)26(22,23)15-5-3-14(4-6-15)25(16,20)21/h3-6,12-13H,7-11H2,1-2H3,(H2,16,20,21)
InChIKeyPIUYLSVPJWNTQB-UHFFFAOYSA-N
MW424.57 g/mol
LogP0.56
Rot. Bonds6

About 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 90590371) has the molecular formula C15H24N2O6S3 and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID90590371
Molecular FormulaC15H24N2O6S3
Molecular Weight424.57 g/mol
Exact Mass424.08
IUPAC Name4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H24N2O6S3/c1-12(2)11-24(18,19)13-7-9-17(10-8-13)26(22,23)15-5-3-14(4-6-15)25(16,20)21/h3-6,12-13H,7-11H2,1-2H3,(H2,16,20,21)
InChIKeyPIUYLSVPJWNTQB-UHFFFAOYSA-N
XLogP0.56
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594382
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
CID 90590315
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590279
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
3-(2-methylpropylsulfonyl)-1-(4-phenoxyphenyl)sulfonylazetidine
CID 90594404
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
N-methyl-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592831
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 90590371) is 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is PIUYLSVPJWNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S3/c1-12(2)11-24(18,19)13-7-9-17(10-8-13)26(22,23)15-5-3-14(4-6-15)25(16,20)21/h3-6,12-13H,7-11H2,1-2H3,(H2,16,20,21).
What are the key properties of 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 90590371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).