N,2-dimethyl-4-propan-2-ylbenzenesulfonamide

C11H17NO2S — CID 58551120

IUPACN,2-dimethyl-4-propan-2-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)C)cc1C
InChIInChI=1S/C11H17NO2S/c1-8(2)10-5-6-11(9(3)7-10)15(13,14)12-4/h5-8,12H,1-4H3
InChIKeyBCTONPJRPINODB-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.03
Rot. Bonds3

About N,2-dimethyl-4-propan-2-ylbenzenesulfonamide

N,2-dimethyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 58551120) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,2-dimethyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-4-propan-2-ylbenzenesulfonamide
PubChem CID58551120
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,2-dimethyl-4-propan-2-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)C)cc1C
InChIInChI=1S/C11H17NO2S/c1-8(2)10-5-6-11(9(3)7-10)15(13,14)12-4/h5-8,12H,1-4H3
InChIKeyBCTONPJRPINODB-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide
CID 156566206
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270
N,3-dimethylnaphthalene-2-sulfonamide
CID 68839687
N,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 151988900
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide
CID 165340894

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N,2-dimethyl-4-propan-2-ylbenzenesulfonamide (CID 58551120) is N,2-dimethyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-4-propan-2-ylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)C)cc1C.
What is the InChIKey of N,2-dimethyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is BCTONPJRPINODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)10-5-6-11(9(3)7-10)15(13,14)12-4/h5-8,12H,1-4H3.
What are the key properties of N,2-dimethyl-4-propan-2-ylbenzenesulfonamide?
N,2-dimethyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 58551120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).