2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide

C13H20BrN3O3S — CID 114626087

IUPAC2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1cc(N)c(Br)cc1C
InChIInChI=1S/C13H20BrN3O3S/c1-4-17(5-2)13(18)8-16-21(19,20)12-7-11(15)10(14)6-9(12)3/h6-7,16H,4-5,8,15H2,1-3H3
InChIKeyQWUOMXYTQWNZSP-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.49
Rot. Bonds6

About 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide

2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide (PubChem CID 114626087) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
PubChem CID114626087
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1cc(N)c(Br)cc1C
InChIInChI=1S/C13H20BrN3O3S/c1-4-17(5-2)13(18)8-16-21(19,20)12-7-11(15)10(14)6-9(12)3/h6-7,16H,4-5,8,15H2,1-3H3
InChIKeyQWUOMXYTQWNZSP-UHFFFAOYSA-N
XLogP1.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.49
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

5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea
CID 114626310
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
CID 114625595
3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
CID 55433934
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide
CID 104922529
5-amino-4-bromo-N-[(1-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 114626267
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615093

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide (CID 114626087) is 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNS(=O)(=O)c1cc(N)c(Br)cc1C.
What is the InChIKey of 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
The InChIKey is QWUOMXYTQWNZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-4-17(5-2)13(18)8-16-21(19,20)12-7-11(15)10(14)6-9(12)3/h6-7,16H,4-5,8,15H2,1-3H3.
What are the key properties of 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide?
2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide has a molecular weight of 378.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide is sourced from PubChem (CID 114626087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).