1-(4-aminophenyl)propane-2-sulfonamide

C9H14N2O2S — CID 66973712

IUPAC1-(4-aminophenyl)propane-2-sulfonamide
SMILESCC(Cc1ccc(N)cc1)S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7(14(11,12)13)6-8-2-4-9(10)5-3-8/h2-5,7H,6,10H2,1H3,(H2,11,12,13)
InChIKeyDZHMQLJSWVGFJZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.49
Rot. Bonds3

About 1-(4-aminophenyl)propane-2-sulfonamide

1-(4-aminophenyl)propane-2-sulfonamide (PubChem CID 66973712) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)propane-2-sulfonamide
PubChem CID66973712
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(4-aminophenyl)propane-2-sulfonamide
SMILESCC(Cc1ccc(N)cc1)S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7(14(11,12)13)6-8-2-4-9(10)5-3-8/h2-5,7H,6,10H2,1H3,(H2,11,12,13)
InChIKeyDZHMQLJSWVGFJZ-UHFFFAOYSA-N
XLogP0.49
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(4-aminophenyl)propane-2-sulfonamide (CID 66973712) is 1-(4-aminophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(4-aminophenyl)propane-2-sulfonamide is CC(Cc1ccc(N)cc1)S(N)(=O)=O.
What is the InChIKey of 1-(4-aminophenyl)propane-2-sulfonamide?
The InChIKey is DZHMQLJSWVGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(14(11,12)13)6-8-2-4-9(10)5-3-8/h2-5,7H,6,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-(4-aminophenyl)propane-2-sulfonamide?
1-(4-aminophenyl)propane-2-sulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)propane-2-sulfonamide is sourced from PubChem (CID 66973712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).