4-butan-2-yl-N-methylbenzenesulfonamide

C11H17NO2S — CID 19684297

IUPAC4-butan-2-yl-N-methylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)15(13,14)12-3/h5-9,12H,4H2,1-3H3
InChIKeyBJBFVXVGFMWRFF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds4

About 4-butan-2-yl-N-methylbenzenesulfonamide

4-butan-2-yl-N-methylbenzenesulfonamide (PubChem CID 19684297) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-butan-2-yl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-methylbenzenesulfonamide
PubChem CID19684297
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-butan-2-yl-N-methylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)15(13,14)12-3/h5-9,12H,4H2,1-3H3
InChIKeyBJBFVXVGFMWRFF-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715696
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-methylbenzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-methylbenzenesulfonamide (CID 19684297) is 4-butan-2-yl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-methylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-butan-2-yl-N-methylbenzenesulfonamide?
The InChIKey is BJBFVXVGFMWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)15(13,14)12-3/h5-9,12H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-methylbenzenesulfonamide?
4-butan-2-yl-N-methylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-methylbenzenesulfonamide is sourced from PubChem (CID 19684297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).