2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide

C15H15BrN2O4S — CID 50891585

IUPAC2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
SMILESCOc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O4S/c1-22-13-4-2-3-12(9-13)18(10-15(17)19)23(20,21)14-7-5-11(16)6-8-14/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyOMSPHAGLXISCDP-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.14
Rot. Bonds6

About 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide

2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide (PubChem CID 50891585) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
PubChem CID50891585
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
SMILESCOc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O4S/c1-22-13-4-2-3-12(9-13)18(10-15(17)19)23(20,21)14-7-5-11(16)6-8-14/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyOMSPHAGLXISCDP-UHFFFAOYSA-N
XLogP2.14
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 50895197
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
CID 3139093
2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
CID 50894708
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891507
2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
CID 50890911
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide (CID 50891585) is 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide is COc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide?
The InChIKey is OMSPHAGLXISCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-22-13-4-2-3-12(9-13)18(10-15(17)19)23(20,21)14-7-5-11(16)6-8-14/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide?
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide has a molecular weight of 399.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide is sourced from PubChem (CID 50891585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).