5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide

C14H24N2O3S — CID 43662989

IUPAC5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-19-13-7-6-12(15)9-14(13)20(17,18)16-11(4)8-10(2)3/h6-7,9-11,16H,5,8,15H2,1-4H3
InChIKeyWAHRWPJMQGEHBX-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.38
Rot. Bonds7

About 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide

5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 43662989) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID43662989
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-19-13-7-6-12(15)9-14(13)20(17,18)16-11(4)8-10(2)3/h6-7,9-11,16H,5,8,15H2,1-4H3
InChIKeyWAHRWPJMQGEHBX-UHFFFAOYSA-N
XLogP2.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
methyl 4-amino-2-(4-methylpentan-2-ylsulfamoyl)benzoate
CID 102930924
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 43662989) is 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NC(C)CC(C)C.
What is the InChIKey of 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is WAHRWPJMQGEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-19-13-7-6-12(15)9-14(13)20(17,18)16-11(4)8-10(2)3/h6-7,9-11,16H,5,8,15H2,1-4H3.
What are the key properties of 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide?
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43662989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).