potassium 4-propan-2-ylbenzenesulfonamide

C9H13KNO2S+ — CID 19095755

IUPACpotassium 4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(N)(=O)=O)cc1.[K+]
InChIInChI=1S/C9H13NO2S.K/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H2,10,11,12);/q;+1
InChIKeyOOTOFPAEMSRKLE-UHFFFAOYSA-N
MW238.37 g/mol
LogP-1.54
Rot. Bonds2

About potassium 4-propan-2-ylbenzenesulfonamide

potassium 4-propan-2-ylbenzenesulfonamide (PubChem CID 19095755) has the molecular formula C9H13KNO2S+ and a molecular weight of 238.37 g/mol. Its IUPAC name is potassium 4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Namepotassium 4-propan-2-ylbenzenesulfonamide
PubChem CID19095755
Molecular FormulaC9H13KNO2S+
Molecular Weight238.37 g/mol
Exact Mass238.03
IUPAC Namepotassium 4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(N)(=O)=O)cc1.[K+]
InChIInChI=1S/C9H13NO2S.K/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H2,10,11,12);/q;+1
InChIKeyOOTOFPAEMSRKLE-UHFFFAOYSA-N
XLogP-1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-ylnaphthalene-2-sulfonamide
CID 142387587
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
4-pentan-2-ylbenzenesulfonamide
CID 134449965
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
benzenesulfonamide;2-methylpropane
CID 157350693
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846

Frequently Asked Questions

What is the IUPAC name of potassium 4-propan-2-ylbenzenesulfonamide?
The IUPAC name of potassium 4-propan-2-ylbenzenesulfonamide (CID 19095755) is potassium 4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for potassium 4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for potassium 4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(N)(=O)=O)cc1.[K+].
What is the InChIKey of potassium 4-propan-2-ylbenzenesulfonamide?
The InChIKey is OOTOFPAEMSRKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S.K/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H2,10,11,12);/q;+1.
What are the key properties of potassium 4-propan-2-ylbenzenesulfonamide?
potassium 4-propan-2-ylbenzenesulfonamide has a molecular weight of 238.37 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19095755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).