2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide

C12H16BrClN2O4S — CID 31777079

IUPAC2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H16BrClN2O4S/c1-15(2)11(17)7-16(3)21(18,19)10-6-8(14)5-9(13)12(10)20-4/h5-6H,7H2,1-4H3
InChIKeyWXIWFTYBRYBXIL-UHFFFAOYSA-N
MW399.69 g/mol
LogP1.82
Rot. Bonds5

About 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide

2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 31777079) has the molecular formula C12H16BrClN2O4S and a molecular weight of 399.69 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID31777079
Molecular FormulaC12H16BrClN2O4S
Molecular Weight399.69 g/mol
Exact Mass397.97
IUPAC Name2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H16BrClN2O4S/c1-15(2)11(17)7-16(3)21(18,19)10-6-8(14)5-9(13)12(10)20-4/h5-6H,7H2,1-4H3
InChIKeyWXIWFTYBRYBXIL-UHFFFAOYSA-N
XLogP1.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 55642351
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107275
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541366
methyl 3-chloro-4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107276
2-[(5-amino-4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 116529654
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
5-chloro-2-methoxy-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985481
5-chloro-3-(chloromethyl)-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 81064050

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 31777079) is 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is WXIWFTYBRYBXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O4S/c1-15(2)11(17)7-16(3)21(18,19)10-6-8(14)5-9(13)12(10)20-4/h5-6H,7H2,1-4H3.
What are the key properties of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 399.69 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 31777079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).