4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide

C10H14BrNO2S — CID 50876941

IUPAC4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C(C)C)cc1Br
InChIInChI=1S/C10H14BrNO2S/c1-6(2)8-5-9(11)7(3)4-10(8)15(12,13)14/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyHHOUHAZTENMKLA-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.53
Rot. Bonds2

About 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide

4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide (PubChem CID 50876941) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide
PubChem CID50876941
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C(C)C)cc1Br
InChIInChI=1S/C10H14BrNO2S/c1-6(2)8-5-9(11)7(3)4-10(8)15(12,13)14/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyHHOUHAZTENMKLA-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide (CID 50876941) is 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C(C)C)cc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide?
The InChIKey is HHOUHAZTENMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-6(2)8-5-9(11)7(3)4-10(8)15(12,13)14/h4-6H,1-3H3,(H2,12,13,14).
What are the key properties of 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide?
4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 50876941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).