2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide

C9H10BrClN2O3S — CID 50893257

IUPAC2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O3S/c1-17(15,16)13(5-9(12)14)8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyPDHUPTSCIROYFL-UHFFFAOYSA-N
MW341.61 g/mol
LogP1.35
Rot. Bonds4

About 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide

2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 50893257) has the molecular formula C9H10BrClN2O3S and a molecular weight of 341.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide
PubChem CID50893257
Molecular FormulaC9H10BrClN2O3S
Molecular Weight341.61 g/mol
Exact Mass339.93
IUPAC Name2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O3S/c1-17(15,16)13(5-9(12)14)8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyPDHUPTSCIROYFL-UHFFFAOYSA-N
XLogP1.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-N-methylsulfonylanilino)ethyl N,N-dimethylcarbamate
CID 75510661
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
CID 50893261
2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide
CID 50893899
2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 48935476
2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
CID 50889349
1-(4-bromo-2-chlorophenyl)-3-(diaminomethylidene)-1-methylurea
CID 21161328
(2S)-2-[(4-bromophenyl)methyl-[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100651062
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-4-methoxybenzoic acid
CID 86679498

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide (CID 50893257) is 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(N)=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is PDHUPTSCIROYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O3S/c1-17(15,16)13(5-9(12)14)8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H2,12,14).
What are the key properties of 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide?
2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 341.61 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 50893257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).