4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

C12H18N2O4S2 — CID 841440

IUPAC4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C12H18N2O4S2/c1-10-6-8-14(9-7-10)20(17,18)12-4-2-11(3-5-12)19(13,15)16/h2-5,10H,6-9H2,1H3,(H2,13,15,16)
InChIKeySMBDNZHKTNOBSJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.75
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 841440) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID841440
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C12H18N2O4S2/c1-10-6-8-14(9-7-10)20(17,18)12-4-2-11(3-5-12)19(13,15)16/h2-5,10H,6-9H2,1H3,(H2,13,15,16)
InChIKeySMBDNZHKTNOBSJ-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

1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844085

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 841440) is 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is CC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is SMBDNZHKTNOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-10-6-8-14(9-7-10)20(17,18)12-4-2-11(3-5-12)19(13,15)16/h2-5,10H,6-9H2,1H3,(H2,13,15,16).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
4-(4-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 4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 841440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).