4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide

C14H19N3O3S — CID 14973486

IUPAC4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCCCCc1cc(NS(=O)(=O)c2ccc(N)cc2)on1
InChIInChI=1S/C14H19N3O3S/c1-2-3-4-5-12-10-14(20-16-12)17-21(18,19)13-8-6-11(15)7-9-13/h6-10,17H,2-5,15H2,1H3
InChIKeyUTXRMBWNFAVFAU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.79
Rot. Bonds7

About 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide

4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 14973486) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID14973486
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCCCCc1cc(NS(=O)(=O)c2ccc(N)cc2)on1
InChIInChI=1S/C14H19N3O3S/c1-2-3-4-5-12-10-14(20-16-12)17-21(18,19)13-8-6-11(15)7-9-13/h6-10,17H,2-5,15H2,1H3
InChIKeyUTXRMBWNFAVFAU-UHFFFAOYSA-N
XLogP2.79
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 14973486) is 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide is CCCCCc1cc(NS(=O)(=O)c2ccc(N)cc2)on1.
What is the InChIKey of 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is UTXRMBWNFAVFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-3-4-5-12-10-14(20-16-12)17-21(18,19)13-8-6-11(15)7-9-13/h6-10,17H,2-5,15H2,1H3.
What are the key properties of 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide?
4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-pentyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 14973486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).