3-(benzenesulfonamido)-3-methylbutanamide

C11H16N2O3S — CID 104600859

IUPAC3-(benzenesulfonamido)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-11(2,8-10(12)14)13-17(15,16)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H2,12,14)
InChIKeyHWYVWKZDXAMQHP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.62
Rot. Bonds5

About 3-(benzenesulfonamido)-3-methylbutanamide

3-(benzenesulfonamido)-3-methylbutanamide (PubChem CID 104600859) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-3-methylbutanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-3-methylbutanamide
PubChem CID104600859
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-(benzenesulfonamido)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-11(2,8-10(12)14)13-17(15,16)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H2,12,14)
InChIKeyHWYVWKZDXAMQHP-UHFFFAOYSA-N
XLogP0.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
CID 106098324
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
3-methyl-3-[(3-sulfamoylphenyl)sulfonylamino]butanoic acid
CID 64670981
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
3-[[4-(aminomethyl)-3-chlorophenyl]sulfonylamino]-3-methylbutanamide
CID 106096174
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
3-[(4-carbamothioyl-3-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106096774
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106098350

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-3-methylbutanamide?
The IUPAC name of 3-(benzenesulfonamido)-3-methylbutanamide (CID 104600859) is 3-(benzenesulfonamido)-3-methylbutanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-3-methylbutanamide?
The canonical SMILES for 3-(benzenesulfonamido)-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-3-methylbutanamide?
The InChIKey is HWYVWKZDXAMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,8-10(12)14)13-17(15,16)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H2,12,14).
What are the key properties of 3-(benzenesulfonamido)-3-methylbutanamide?
3-(benzenesulfonamido)-3-methylbutanamide has a molecular weight of 256.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-3-methylbutanamide is sourced from PubChem (CID 104600859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).