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

C16H16BrClN2O4S — CID 55642351

IUPAC2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrClN2O4S/c1-20(10-15(21)19-12-6-4-3-5-7-12)25(22,23)14-9-11(18)8-13(17)16(14)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyQXUYBQOPSNSHSM-UHFFFAOYSA-N
MW447.74 g/mol
LogP3.37
Rot. Bonds6

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

2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide (PubChem CID 55642351) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide
PubChem CID55642351
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC Name2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrClN2O4S/c1-20(10-15(21)19-12-6-4-3-5-7-12)25(22,23)14-9-11(18)8-13(17)16(14)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyQXUYBQOPSNSHSM-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 31777079
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541366
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide (CID 55642351) is 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The InChIKey is QXUYBQOPSNSHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c1-20(10-15(21)19-12-6-4-3-5-7-12)25(22,23)14-9-11(18)8-13(17)16(14)24-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide?
2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-phenylacetamide has a molecular weight of 447.74 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 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-phenylacetamide is sourced from PubChem (CID 55642351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).