3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H16BrNO2S — CID 4820928

IUPAC3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-6-9(12)8-10/h5-8,13H,4H2,1-3H3
InChIKeyVPRKWRFPKUVDHL-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.92
Rot. Bonds4

About 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide

3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 4820928) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID4820928
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-6-9(12)8-10/h5-8,13H,4H2,1-3H3
InChIKeyVPRKWRFPKUVDHL-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 4820928) is 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is VPRKWRFPKUVDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-6-9(12)8-10/h5-8,13H,4H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 4820928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).