2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide

C10H11BrClN3O4S — CID 106546067

IUPAC2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H11BrClN3O4S/c11-7-3-6(1-2-8(7)12)20(18,19)15(4-9(13)16)5-10(14)17/h1-3H,4-5H2,(H2,13,16)(H2,14,17)
InChIKeyXRHWLDJTVTYOJY-UHFFFAOYSA-N
MW384.64 g/mol
LogP0.06
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide

2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide (PubChem CID 106546067) has the molecular formula C10H11BrClN3O4S and a molecular weight of 384.64 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
PubChem CID106546067
Molecular FormulaC10H11BrClN3O4S
Molecular Weight384.64 g/mol
Exact Mass382.93
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H11BrClN3O4S/c11-7-3-6(1-2-8(7)12)20(18,19)15(4-9(13)16)5-10(14)17/h1-3H,4-5H2,(H2,13,16)(H2,14,17)
InChIKeyXRHWLDJTVTYOJY-UHFFFAOYSA-N
XLogP0.06
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
CID 62921775
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
4-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]butanoic acid
CID 106605185
3-[(3-bromo-4-chlorophenyl)sulfonyl-tert-butylamino]propanoic acid
CID 106605247
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 106611794
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-[(2-amino-2-oxoethyl)-(2-chloro-4-methylphenyl)sulfonylamino]acetic acid
CID 107435628

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide (CID 106546067) is 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide is NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide?
The InChIKey is XRHWLDJTVTYOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O4S/c11-7-3-6(1-2-8(7)12)20(18,19)15(4-9(13)16)5-10(14)17/h1-3H,4-5H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide?
2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide has a molecular weight of 384.64 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 106546067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).