2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide

C16H15BrCl2N2O4S — CID 32941920

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15BrCl2N2O4S/c1-21(9-16(22)20-11-4-5-12(18)13(19)8-11)26(23,24)15-7-10(17)3-6-14(15)25-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyWCVCGYJIPFSEFU-UHFFFAOYSA-N
MW482.18 g/mol
LogP4.02
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 32941920) has the molecular formula C16H15BrCl2N2O4S and a molecular weight of 482.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID32941920
Molecular FormulaC16H15BrCl2N2O4S
Molecular Weight482.18 g/mol
Exact Mass479.93
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15BrCl2N2O4S/c1-21(9-16(22)20-11-4-5-12(18)13(19)8-11)26(23,24)15-7-10(17)3-6-14(15)25-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyWCVCGYJIPFSEFU-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168365
N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 989380
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
CID 167168339

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 32941920) is 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide is COc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is WCVCGYJIPFSEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O4S/c1-21(9-16(22)20-11-4-5-12(18)13(19)8-11)26(23,24)15-7-10(17)3-6-14(15)25-2/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 482.18 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 32941920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).