5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide

C12H20N2O4S2 — CID 15278739

IUPAC5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(N)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O4S2/c1-5-19(15,16)10-7-6-9(13)8-11(10)20(17,18)14-12(2,3)4/h6-8,14H,5,13H2,1-4H3
InChIKeyLSLFSDXZYZJFJO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.14
Rot. Bonds4

About 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide

5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide (PubChem CID 15278739) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide
PubChem CID15278739
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(N)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O4S2/c1-5-19(15,16)10-7-6-9(13)8-11(10)20(17,18)14-12(2,3)4/h6-8,14H,5,13H2,1-4H3
InChIKeyLSLFSDXZYZJFJO-UHFFFAOYSA-N
XLogP1.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039299
5-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65206847
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107864487
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
4-amino-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62525141
5-amino-2-(5-bromo-1,3-thiazol-2-yl)-N-tert-butylbenzenesulfonamide
CID 137408595
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide
CID 106181343
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide?
The IUPAC name of 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide (CID 15278739) is 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide is CCS(=O)(=O)c1ccc(N)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide?
The InChIKey is LSLFSDXZYZJFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-5-19(15,16)10-7-6-9(13)8-11(10)20(17,18)14-12(2,3)4/h6-8,14H,5,13H2,1-4H3.
What are the key properties of 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide?
5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-tert-butyl-2-ethylsulfonylbenzenesulfonamide is sourced from PubChem (CID 15278739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).