3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide

C11H15Cl2N3O3S — CID 106914013

IUPAC3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H15Cl2N3O3S/c1-15-10(17)3-4-16(2)20(18,19)11-8(12)5-7(14)6-9(11)13/h5-6H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyNKGSZCAXARFNBP-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.33
Rot. Bonds5

About 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide

3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide (PubChem CID 106914013) has the molecular formula C11H15Cl2N3O3S and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
PubChem CID106914013
Molecular FormulaC11H15Cl2N3O3S
Molecular Weight340.23 g/mol
Exact Mass339.02
IUPAC Name3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H15Cl2N3O3S/c1-15-10(17)3-4-16(2)20(18,19)11-8(12)5-7(14)6-9(11)13/h5-6H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyNKGSZCAXARFNBP-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.33
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

3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914100
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913988
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106916938
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
3-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106915583

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide (CID 106914013) is 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide?
The InChIKey is NKGSZCAXARFNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O3S/c1-15-10(17)3-4-16(2)20(18,19)11-8(12)5-7(14)6-9(11)13/h5-6H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide?
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide has a molecular weight of 340.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).