3-(2,2-dimethylpropanoyl)benzenesulfonamide

C11H15NO3S — CID 58728640

IUPAC3-(2,2-dimethylpropanoyl)benzenesulfonamide
SMILESCC(C)(C)C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15NO3S/c1-11(2,3)10(13)8-5-4-6-9(7-8)16(12,14)15/h4-7H,1-3H3,(H2,12,14,15)
InChIKeyICFPNXRSUPCBIA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.56
Rot. Bonds2

About 3-(2,2-dimethylpropanoyl)benzenesulfonamide

3-(2,2-dimethylpropanoyl)benzenesulfonamide (PubChem CID 58728640) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)benzenesulfonamide
PubChem CID58728640
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(2,2-dimethylpropanoyl)benzenesulfonamide
SMILESCC(C)(C)C(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15NO3S/c1-11(2,3)10(13)8-5-4-6-9(7-8)16(12,14)15/h4-7H,1-3H3,(H2,12,14,15)
InChIKeyICFPNXRSUPCBIA-UHFFFAOYSA-N
XLogP1.56
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
3-butanoylbenzenesulfonamide
CID 63839666
N,N-dimethoxy-3-sulfamoylbenzamide
CID 54347456
N-ethyl-3-sulfamoylbenzamide
CID 43089872
benzene-1,3-disulfonamide
CID 3090044
2-ethoxyethyl 3-sulfamoylbenzoate
CID 60642833
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-methylbenzenesulfonamide
CID 69347063
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
N-but-3-yn-2-yl-3-sulfamoylbenzamide
CID 114390083
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)benzenesulfonamide?
The IUPAC name of 3-(2,2-dimethylpropanoyl)benzenesulfonamide (CID 58728640) is 3-(2,2-dimethylpropanoyl)benzenesulfonamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)benzenesulfonamide?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)benzenesulfonamide is CC(C)(C)C(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)benzenesulfonamide?
The InChIKey is ICFPNXRSUPCBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2,3)10(13)8-5-4-6-9(7-8)16(12,14)15/h4-7H,1-3H3,(H2,12,14,15).
What are the key properties of 3-(2,2-dimethylpropanoyl)benzenesulfonamide?
3-(2,2-dimethylpropanoyl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 58728640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).