4-bromo-N,N,2,5-tetramethylbenzenesulfonamide

C10H14BrNO2S — CID 16644725

IUPAC4-bromo-N,N,2,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)c(C)cc1Br
InChIInChI=1S/C10H14BrNO2S/c1-7-6-10(8(2)5-9(7)11)15(13,14)12(3)4/h5-6H,1-4H3
InChIKeyHKTABVFJFYIFKQ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.32
Rot. Bonds2

About 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide

4-bromo-N,N,2,5-tetramethylbenzenesulfonamide (PubChem CID 16644725) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N,N,2,5-tetramethylbenzenesulfonamide
PubChem CID16644725
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name4-bromo-N,N,2,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)c(C)cc1Br
InChIInChI=1S/C10H14BrNO2S/c1-7-6-10(8(2)5-9(7)11)15(13,14)12(3)4/h5-6H,1-4H3
InChIKeyHKTABVFJFYIFKQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide (CID 16644725) is 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C)c(C)cc1Br.
What is the InChIKey of 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide?
The InChIKey is HKTABVFJFYIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-7-6-10(8(2)5-9(7)11)15(13,14)12(3)4/h5-6H,1-4H3.
What are the key properties of 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide?
4-bromo-N,N,2,5-tetramethylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N,2,5-tetramethylbenzenesulfonamide is sourced from PubChem (CID 16644725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).