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

C11H16ClN3O3S — CID 106274921

IUPAC3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)c(N)c1)C(N)=O
InChIInChI=1S/C11H16ClN3O3S/c1-11(2,10(14)16)6-15-19(17,18)7-3-4-8(12)9(13)5-7/h3-5,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyUBKKHSBPJXWKLR-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.71
Rot. Bonds5

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

3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106274921) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106274921
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)c(N)c1)C(N)=O
InChIInChI=1S/C11H16ClN3O3S/c1-11(2,10(14)16)6-15-19(17,18)7-3-4-8(12)9(13)5-7/h3-5,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyUBKKHSBPJXWKLR-UHFFFAOYSA-N
XLogP0.71
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.71
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-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139850
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
3-[(5-carbamothioyl-2-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106277456
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275955
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide (CID 106274921) is 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide is CC(C)(CNS(=O)(=O)c1ccc(Cl)c(N)c1)C(N)=O.
What is the InChIKey of 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is UBKKHSBPJXWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-11(2,10(14)16)6-15-19(17,18)7-3-4-8(12)9(13)5-7/h3-5,15H,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide?
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 305.79 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).