2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide

C14H20Br2N2O2S — CID 115698504

IUPAC2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC2CCN(C)CC2C)cc1Br
InChIInChI=1S/C14H20Br2N2O2S/c1-9-6-12(16)14(7-11(9)15)21(19,20)17-13-4-5-18(3)8-10(13)2/h6-7,10,13,17H,4-5,8H2,1-3H3
InChIKeyWMIZSWHEEIAKKX-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.14
Rot. Bonds3

About 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide (PubChem CID 115698504) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
PubChem CID115698504
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC2CCN(C)CC2C)cc1Br
InChIInChI=1S/C14H20Br2N2O2S/c1-9-6-12(16)14(7-11(9)15)21(19,20)17-13-4-5-18(3)8-10(13)2/h6-7,10,13,17H,4-5,8H2,1-3H3
InChIKeyWMIZSWHEEIAKKX-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
3-amino-2-bromo-5-chloro-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114502876
2,5-dibromo-N-(2-bromocyclopentyl)-4-methylbenzenesulfonamide
CID 81326896
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 106919626
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide (CID 115698504) is 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NC2CCN(C)CC2C)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is WMIZSWHEEIAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-9-6-12(16)14(7-11(9)15)21(19,20)17-13-4-5-18(3)8-10(13)2/h6-7,10,13,17H,4-5,8H2,1-3H3.
What are the key properties of 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 115698504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).