3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide

C12H18BrN3O3S — CID 114380127

IUPAC3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C12H18BrN3O3S/c1-3-15-12(17)4-5-16-20(18,19)11-7-9(13)6-10(14)8(11)2/h6-7,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeySUMIGAUZGGYNIJ-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.14
Rot. Bonds6

About 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide

3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 114380127) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID114380127
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC Name3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C12H18BrN3O3S/c1-3-15-12(17)4-5-16-20(18,19)11-7-9(13)6-10(14)8(11)2/h6-7,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeySUMIGAUZGGYNIJ-UHFFFAOYSA-N
XLogP1.14
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
3-amino-5-bromo-N-(4-hydroxypentyl)-2-methylbenzenesulfonamide
CID 106119259
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
3-amino-5-bromo-N-(2-butoxyethyl)-2-methylbenzenesulfonamide
CID 114379255
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
3-amino-5-bromo-2-methyl-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 114380334
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
3-amino-5-bromo-N-(3-ethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 114379785

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide (CID 114380127) is 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)CCNS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is SUMIGAUZGGYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-3-15-12(17)4-5-16-20(18,19)11-7-9(13)6-10(14)8(11)2/h6-7,16H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 364.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 114380127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).