2-propan-2-ylbenzenesulfonamide

C9H13NO2S — CID 19098635

IUPAC2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
InChIKeyMJGJMQGRZOEPJD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.46
Rot. Bonds2

About 2-propan-2-ylbenzenesulfonamide

2-propan-2-ylbenzenesulfonamide (PubChem CID 19098635) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-propan-2-ylbenzenesulfonamide
PubChem CID19098635
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
InChIKeyMJGJMQGRZOEPJD-UHFFFAOYSA-N
XLogP1.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-propan-2-ylbenzenesulfonamide (CID 19098635) is 2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-propan-2-ylbenzenesulfonamide is CC(C)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-propan-2-ylbenzenesulfonamide?
The InChIKey is MJGJMQGRZOEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12).
What are the key properties of 2-propan-2-ylbenzenesulfonamide?
2-propan-2-ylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19098635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).