4-amino-2-propylbenzenesulfonamide

C9H14N2O2S — CID 21390682

IUPAC4-amino-2-propylbenzenesulfonamide
SMILESCCCc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-2-3-7-6-8(10)4-5-9(7)14(11,12)13/h4-6H,2-3,10H2,1H3,(H2,11,12,13)
InChIKeyPHMXQILLIDRLSP-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.87
Rot. Bonds3

About 4-amino-2-propylbenzenesulfonamide

4-amino-2-propylbenzenesulfonamide (PubChem CID 21390682) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-amino-2-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-propylbenzenesulfonamide
PubChem CID21390682
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-amino-2-propylbenzenesulfonamide
SMILESCCCc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-2-3-7-6-8(10)4-5-9(7)14(11,12)13/h4-6H,2-3,10H2,1H3,(H2,11,12,13)
InChIKeyPHMXQILLIDRLSP-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-propylbenzenesulfonamide?
The IUPAC name of 4-amino-2-propylbenzenesulfonamide (CID 21390682) is 4-amino-2-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-propylbenzenesulfonamide is CCCc1cc(N)ccc1S(N)(=O)=O.
What is the InChIKey of 4-amino-2-propylbenzenesulfonamide?
The InChIKey is PHMXQILLIDRLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-7-6-8(10)4-5-9(7)14(11,12)13/h4-6H,2-3,10H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-2-propylbenzenesulfonamide?
4-amino-2-propylbenzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propylbenzenesulfonamide is sourced from PubChem (CID 21390682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).