3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide

C12H18ClN3O3S — CID 106274947

IUPAC3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,11(17)15-3)7-16-20(18,19)10-5-4-8(13)6-9(10)14/h4-6,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyGJILOBZFUXTCAD-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.97
Rot. Bonds5

About 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide

3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide (PubChem CID 106274947) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
PubChem CID106274947
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,11(17)15-3)7-16-20(18,19)10-5-4-8(13)6-9(10)14/h4-6,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyGJILOBZFUXTCAD-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931
2-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139679
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275995
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide (CID 106274947) is 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The InChIKey is GJILOBZFUXTCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-12(2,11(17)15-3)7-16-20(18,19)10-5-4-8(13)6-9(10)14/h4-6,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide has a molecular weight of 319.81 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).