5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide

C13H22N2O2S — CID 43255687

IUPAC5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(CC)CC
InChIInChI=1S/C13H22N2O2S/c1-4-10-7-8-11(14)9-13(10)18(16,17)15-12(5-2)6-3/h7-9,12,15H,4-6,14H2,1-3H3
InChIKeyAVLKHTZDXFWTCO-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.30
Rot. Bonds6

About 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide

5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 43255687) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID43255687
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(CC)CC
InChIInChI=1S/C13H22N2O2S/c1-4-10-7-8-11(14)9-13(10)18(16,17)15-12(5-2)6-3/h7-9,12,15H,4-6,14H2,1-3H3
InChIKeyAVLKHTZDXFWTCO-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.30
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

5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-2-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476920
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide (CID 43255687) is 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NC(CC)CC.
What is the InChIKey of 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is AVLKHTZDXFWTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10-7-8-11(14)9-13(10)18(16,17)15-12(5-2)6-3/h7-9,12,15H,4-6,14H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide?
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 43255687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).