4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide

C11H14BrNO3S — CID 64996479

IUPAC4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
SMILESCC(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c1-8(2)11(14)7-13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyVKFJERAXKUTGHA-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.95
Rot. Bonds5

About 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide

4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide (PubChem CID 64996479) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
PubChem CID64996479
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
SMILESCC(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c1-8(2)11(14)7-13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyVKFJERAXKUTGHA-UHFFFAOYSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616540
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide (CID 64996479) is 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide is CC(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide?
The InChIKey is VKFJERAXKUTGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-8(2)11(14)7-13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide?
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide has a molecular weight of 320.21 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide is sourced from PubChem (CID 64996479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).