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

C12H18ClN3O3S — CID 106275955

IUPAC3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(CN)cc1Cl)C(N)=O
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,11(15)17)7-16-20(18,19)10-4-3-8(6-14)5-9(10)13/h3-5,16H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyYOOJVBNQLQWFAY-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.59
Rot. Bonds6

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

3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106275955) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106275955
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(CN)cc1Cl)C(N)=O
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,11(15)17)7-16-20(18,19)10-4-3-8(6-14)5-9(10)13/h3-5,16H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyYOOJVBNQLQWFAY-UHFFFAOYSA-N
XLogP0.59
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275995
4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102904883
3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
CID 106275923
3-[(5-carbamothioyl-2-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106277456
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid
CID 106274852
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
4-(aminomethyl)-2-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016293
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide (CID 106275955) is 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide is CC(C)(CNS(=O)(=O)c1ccc(CN)cc1Cl)C(N)=O.
What is the InChIKey of 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is YOOJVBNQLQWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-12(2,11(15)17)7-16-20(18,19)10-4-3-8(6-14)5-9(10)13/h3-5,16H,6-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide?
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 319.81 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).