2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide

C12H15Cl3N2O2S — CID 63642660

IUPAC2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O2S/c1-17(9-3-2-4-16-7-9)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,2-4,7H2,1H3
InChIKeyOEHYQVHCBJOBAM-UHFFFAOYSA-N
MW357.69 g/mol
LogP3.02
Rot. Bonds3

About 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide

2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63642660) has the molecular formula C12H15Cl3N2O2S and a molecular weight of 357.69 g/mol. Its IUPAC name is 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63642660
Molecular FormulaC12H15Cl3N2O2S
Molecular Weight357.69 g/mol
Exact Mass355.99
IUPAC Name2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O2S/c1-17(9-3-2-4-16-7-9)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,2-4,7H2,1H3
InChIKeyOEHYQVHCBJOBAM-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
N,3,5-trimethyl-N-piperidin-3-yl-1H-pyrazole-4-sulfonamide
CID 60807200
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
N-methyl-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 127263584
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 63642660) is 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide is CN(C1CCCNC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is OEHYQVHCBJOBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2S/c1-17(9-3-2-4-16-7-9)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,2-4,7H2,1H3.
What are the key properties of 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 357.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63642660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).