2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

C16H17BrN2O5S — CID 50895197

IUPAC2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O5S/c1-23-12-5-8-15(24-2)14(9-12)19(10-16(18)20)25(21,22)13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyCBGSQWNJDJWVEF-UHFFFAOYSA-N
MW429.29 g/mol
LogP2.15
Rot. Bonds7

About 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (PubChem CID 50895197) has the molecular formula C16H17BrN2O5S and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
PubChem CID50895197
Molecular FormulaC16H17BrN2O5S
Molecular Weight429.29 g/mol
Exact Mass428.00
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O5S/c1-23-12-5-8-15(24-2)14(9-12)19(10-16(18)20)25(21,22)13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyCBGSQWNJDJWVEF-UHFFFAOYSA-N
XLogP2.15
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 53279863
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
CID 90051595
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-[(4-bromophenyl)methyl-[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133211671
2-[(4-bromophenyl)methyl-[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132642923

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (CID 50895197) is 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is COc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The InChIKey is CBGSQWNJDJWVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5S/c1-23-12-5-8-15(24-2)14(9-12)19(10-16(18)20)25(21,22)13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide has a molecular weight of 429.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 50895197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).