2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide

C11H16ClN3O3S — CID 43374844

IUPAC2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H16ClN3O3S/c1-14(2)11(16)7-15(3)19(17,18)8-4-5-9(12)10(13)6-8/h4-6H,7,13H2,1-3H3
InChIKeyUXWJASIUHUCRNH-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.63
Rot. Bonds4

About 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide

2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 43374844) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID43374844
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H16ClN3O3S/c1-14(2)11(16)7-15(3)19(17,18)8-4-5-9(12)10(13)6-8/h4-6H,7,13H2,1-3H3
InChIKeyUXWJASIUHUCRNH-UHFFFAOYSA-N
XLogP0.63
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 62058073
3-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455
2-[(4-carbamothioyl-3-methylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 106920031
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43375348
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 43374844) is 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is UXWJASIUHUCRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-14(2)11(16)7-15(3)19(17,18)8-4-5-9(12)10(13)6-8/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 305.79 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43374844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).