N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide

C16H16BrClN2O4S — CID 1095292

IUPACN-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C16H16BrClN2O4S/c1-24-15-8-7-11(18)9-14(15)20(25(2,22)23)10-16(21)19-13-6-4-3-5-12(13)17/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFOUYHXSMRRJVPO-UHFFFAOYSA-N
MW447.74 g/mol
LogP3.52
Rot. Bonds6

About N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide

N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1095292) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1095292
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC NameN-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C16H16BrClN2O4S/c1-24-15-8-7-11(18)9-14(15)20(25(2,22)23)10-16(21)19-13-6-4-3-5-12(13)17/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFOUYHXSMRRJVPO-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(dimethylamino)sulfonyl]phenylamino}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 999494
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1148718
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 2460073
Cambridge id 6746060
CID 2912764
N-(sec-butyl)-2-[5-chloro-2-methoxy(methylsulfonyl)anilino]acetamide
CID 3139121
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
CID 4104685
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4797029
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4850448
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-(5-chloro-2-methoxy-phenyl)-methanesulfonamide
CID 1148862

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide (CID 1095292) is N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is FOUYHXSMRRJVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c1-24-15-8-7-11(18)9-14(15)20(25(2,22)23)10-16(21)19-13-6-4-3-5-12(13)17/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 447.74 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1095292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).