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

C12H17Cl2N3O3S — CID 106914100

IUPAC3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H17Cl2N3O3S/c1-7(12(18)16-2)6-17(3)21(19,20)11-9(13)4-8(15)5-10(11)14/h4-5,7H,6,15H2,1-3H3,(H,16,18)
InChIKeyKTLREXPVZCYFEB-UHFFFAOYSA-N
MW354.26 g/mol
LogP1.58
Rot. Bonds5

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

3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914100) has the molecular formula C12H17Cl2N3O3S and a molecular weight of 354.26 g/mol. Its IUPAC name is 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106914100
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.26 g/mol
Exact Mass353.04
IUPAC Name3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H17Cl2N3O3S/c1-7(12(18)16-2)6-17(3)21(19,20)11-9(13)4-8(15)5-10(11)14/h4-5,7H,6,15H2,1-3H3,(H,16,18)
InChIKeyKTLREXPVZCYFEB-UHFFFAOYSA-N
XLogP1.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 51.58
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-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914039
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
3-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106915188
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106917610
3-[(2-bromophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 103723773

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide (CID 106914100) is 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is KTLREXPVZCYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3S/c1-7(12(18)16-2)6-17(3)21(19,20)11-9(13)4-8(15)5-10(11)14/h4-5,7H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 354.26 g/mol, XLogP of 1.58, 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,2-dimethylpropanamide is sourced from PubChem (CID 106914100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).