2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C14H20Br2N2O2S — CID 81319102

IUPAC2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCC2CCCNC2)cc1Br
InChIInChI=1S/C14H20Br2N2O2S/c1-10-7-13(16)14(8-12(10)15)21(19,20)18-6-4-11-3-2-5-17-9-11/h7-8,11,17-18H,2-6,9H2,1H3
InChIKeyFTJLLFFKJLGSTP-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.19
Rot. Bonds5

About 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 81319102) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID81319102
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCC2CCCNC2)cc1Br
InChIInChI=1S/C14H20Br2N2O2S/c1-10-7-13(16)14(8-12(10)15)21(19,20)18-6-4-11-3-2-5-17-9-11/h7-8,11,17-18H,2-6,9H2,1H3
InChIKeyFTJLLFFKJLGSTP-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2,5-dibromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794097
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 81319102) is 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCCC2CCCNC2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is FTJLLFFKJLGSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-10-7-13(16)14(8-12(10)15)21(19,20)18-6-4-11-3-2-5-17-9-11/h7-8,11,17-18H,2-6,9H2,1H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 81319102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).