2-bromo-4-methyl-N-propylbenzenesulfonamide

C10H14BrNO2S — CID 43243390

IUPAC2-bromo-4-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C10H14BrNO2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h4-5,7,12H,3,6H2,1-2H3
InChIKeyHWXJLMJGVVUWOX-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.45
Rot. Bonds4

About 2-bromo-4-methyl-N-propylbenzenesulfonamide

2-bromo-4-methyl-N-propylbenzenesulfonamide (PubChem CID 43243390) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-propylbenzenesulfonamide
PubChem CID43243390
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-bromo-4-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C10H14BrNO2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h4-5,7,12H,3,6H2,1-2H3
InChIKeyHWXJLMJGVVUWOX-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-propylbenzenesulfonamide (CID 43243390) is 2-bromo-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is HWXJLMJGVVUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 2-bromo-4-methyl-N-propylbenzenesulfonamide?
2-bromo-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43243390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).