2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C12H15BrCl2N2O3S — CID 28536385

IUPAC2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H15BrCl2N2O3S/c1-7(2)16-11(18)6-17(3)21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,7H,6H2,1-3H3,(H,16,18)
InChIKeyRKVWUSQDKZZHRI-UHFFFAOYSA-N
MW418.14 g/mol
LogP2.90
Rot. Bonds5

About 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 28536385) has the molecular formula C12H15BrCl2N2O3S and a molecular weight of 418.14 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID28536385
Molecular FormulaC12H15BrCl2N2O3S
Molecular Weight418.14 g/mol
Exact Mass415.94
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H15BrCl2N2O3S/c1-7(2)16-11(18)6-17(3)21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,7H,6H2,1-3H3,(H,16,18)
InChIKeyRKVWUSQDKZZHRI-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943095
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 116528263
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 76929365
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(5-amino-4-bromo-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114625351
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114379201
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 28536385) is 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is RKVWUSQDKZZHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2O3S/c1-7(2)16-11(18)6-17(3)21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,7H,6H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 418.14 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 28536385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).