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

Analyze 4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-2,5-dimethylbenzene-1-sulfonyl chloride
CID 50876027
4-Bromo-3-methylbenzenesulfonamide
CID 2737409
4-Bromo-2,3-dimethylbenzene-1-sulfonamide
CID 21938548
4-Bromo-2-(propan-2-yl)benzene-1-sulfonyl chloride
CID 82708090
4-Bromo-2,5-dimethylbenzenesulfonyl fluoride
CID 138987296
3-Bromo-2,5-dimethylbenzene-1-sulfonyl fluoride
CID 146048550
4-Bromo-2-ethylbenzenesulfonyl azide
CID 59235675
4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene
CID 163667057
4-bromo-2-isopropyl-N-(2-methoxyethyl)-5-methylbenzenesulfonamide
CID 45100401
4-Bromo-5-methyl-2-(methylethyl)benzenesulfonamide
CID 50876941
4-bromo-N-methyl-2,5-di(propan-2-yl)benzenesulfonamide
CID 85826950
3-Bromo-2-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 67058922

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).