2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide

C10H13BrN2O3S — CID 846505

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C10H13BrN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyKVVUIXBMYMUPLM-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.96
Rot. Bonds4

About 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide

2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 846505) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID846505
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C10H13BrN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyKVVUIXBMYMUPLM-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
2-(3-Bromoanilino)acetohydrazide
CID 302654
2-(3-bromoanilino)-N-hydroxyacetamide
CID 145950151
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-bromophenyl)methanesulfonamide
CID 1339092
2-[3-fluoro(methylsulfonyl)anilino]-N-propylacetamide
CID 1729001
N~2~-benzyl-N~1~-(2-bromophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2192163
N~2~-(4-bromo-3-methylphenyl)-N~1~-isopropyl-N~2~-(methylsulfonyl)glycinamide
CID 2223390
2-[3-bromo(methylsulfonyl)anilino]-N,N-diethylacetamide
CID 2272992
2-Amino-N-[(2-bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-acetamide
CID 10666501
N-(2-bromo-4-sulfamoyl-phenyl)-2-methylamino-acetamide
CID 10734581

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide (CID 846505) is 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is KVVUIXBMYMUPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 321.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 846505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).