4-amino-N-propylbenzenesulfonamide

C9H14N2O2S — CID 2065546

IUPAC4-amino-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeyPEDHCXVSNZZLSR-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.96
Rot. Bonds4

About 4-amino-N-propylbenzenesulfonamide

4-amino-N-propylbenzenesulfonamide (PubChem CID 2065546) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-amino-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-propylbenzenesulfonamide
PubChem CID2065546
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-amino-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeyPEDHCXVSNZZLSR-UHFFFAOYSA-N
XLogP0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.96
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-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-N-propylbenzenesulfonamide (CID 2065546) is 4-amino-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-propylbenzenesulfonamide?
The InChIKey is PEDHCXVSNZZLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3.
What are the key properties of 4-amino-N-propylbenzenesulfonamide?
4-amino-N-propylbenzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propylbenzenesulfonamide is sourced from PubChem (CID 2065546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).