2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide

C21H19BrN2O4S — CID 1204014

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19BrN2O4S/c1-28-19-10-6-9-18(14-19)24(29(26,27)20-11-3-2-4-12-20)15-21(25)23-17-8-5-7-16(22)13-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyHUTLBMQVCHNBTA-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.29
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide (PubChem CID 1204014) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
PubChem CID1204014
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19BrN2O4S/c1-28-19-10-6-9-18(14-19)24(29(26,27)20-11-3-2-4-12-20)15-21(25)23-17-8-5-7-16(22)13-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyHUTLBMQVCHNBTA-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
CID 3139093
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
CID 43891612
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
CID 30169165
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43909462
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1356995
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide
CID 2889303
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 1318772

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide (CID 1204014) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide is COc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide?
The InChIKey is HUTLBMQVCHNBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-28-19-10-6-9-18(14-19)24(29(26,27)20-11-3-2-4-12-20)15-21(25)23-17-8-5-7-16(22)13-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide has a molecular weight of 475.36 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 1204014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).