4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide

C14H22BrNO2S — CID 21492092

IUPAC4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1cc(S(N)(=O)=O)c(CC(C)C)cc1Br
InChIInChI=1S/C14H22BrNO2S/c1-9(2)5-11-8-14(19(16,17)18)12(6-10(3)4)7-13(11)15/h7-10H,5-6H2,1-4H3,(H2,16,17,18)
InChIKeyMTQUYABMYHEMJH-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.49
Rot. Bonds5

About 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide

4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 21492092) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide
PubChem CID21492092
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1cc(S(N)(=O)=O)c(CC(C)C)cc1Br
InChIInChI=1S/C14H22BrNO2S/c1-9(2)5-11-8-14(19(16,17)18)12(6-10(3)4)7-13(11)15/h7-10H,5-6H2,1-4H3,(H2,16,17,18)
InChIKeyMTQUYABMYHEMJH-UHFFFAOYSA-N
XLogP3.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide (CID 21492092) is 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide is CC(C)Cc1cc(S(N)(=O)=O)c(CC(C)C)cc1Br.
What is the InChIKey of 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is MTQUYABMYHEMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-9(2)5-11-8-14(19(16,17)18)12(6-10(3)4)7-13(11)15/h7-10H,5-6H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide?
4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 348.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 21492092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).