2-amino-3-propan-2-ylbenzenesulfonamide

C9H14N2O2S — CID 67063379

IUPAC2-amino-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C9H14N2O2S/c1-6(2)7-4-3-5-8(9(7)10)14(11,12)13/h3-6H,10H2,1-2H3,(H2,11,12,13)
InChIKeyIYQSVYIGFKBZCU-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.04
Rot. Bonds2

About 2-amino-3-propan-2-ylbenzenesulfonamide

2-amino-3-propan-2-ylbenzenesulfonamide (PubChem CID 67063379) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-propan-2-ylbenzenesulfonamide
PubChem CID67063379
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C9H14N2O2S/c1-6(2)7-4-3-5-8(9(7)10)14(11,12)13/h3-6H,10H2,1-2H3,(H2,11,12,13)
InChIKeyIYQSVYIGFKBZCU-UHFFFAOYSA-N
XLogP1.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methylsulfanylbenzenesulfonamide
CID 112675184
2-amino-3-iodobenzenesulfonamide
CID 118996244
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-methyl-6-propan-2-ylbenzenesulfonamide
CID 43173644
2-amino-3-ethylsulfanylbenzenesulfonamide
CID 112675163
2-methyl-6-propan-2-ylaniline
CID 162117439
2-amino-3-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 112675093
2-amino-3-(3-methylbutylsulfanyl)benzenesulfonamide
CID 107748208
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
CID 142784698
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-3-propan-2-ylbenzenesulfonamide (CID 67063379) is 2-amino-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-propan-2-ylbenzenesulfonamide is CC(C)c1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-propan-2-ylbenzenesulfonamide?
The InChIKey is IYQSVYIGFKBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)7-4-3-5-8(9(7)10)14(11,12)13/h3-6H,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-amino-3-propan-2-ylbenzenesulfonamide?
2-amino-3-propan-2-ylbenzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 67063379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).