2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide

C10H12BrClN2O3S — CID 40753294

IUPAC2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O3S/c1-14(2)10(15)6-13-18(16,17)9-4-3-7(11)5-8(9)12/h3-5,13H,6H2,1-2H3
InChIKeyHDAHPOZWOXHUNW-UHFFFAOYSA-N
MW355.64 g/mol
LogP1.47
Rot. Bonds4

About 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide (PubChem CID 40753294) has the molecular formula C10H12BrClN2O3S and a molecular weight of 355.64 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
PubChem CID40753294
Molecular FormulaC10H12BrClN2O3S
Molecular Weight355.64 g/mol
Exact Mass353.94
IUPAC Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O3S/c1-14(2)10(15)6-13-18(16,17)9-4-3-7(11)5-8(9)12/h3-5,13H,6H2,1-2H3
InChIKeyHDAHPOZWOXHUNW-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65110641
2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43514531
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide
CID 104922529
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-2-chlorobenzenesulfonamide
CID 106145779
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide (CID 40753294) is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is HDAHPOZWOXHUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S/c1-14(2)10(15)6-13-18(16,17)9-4-3-7(11)5-8(9)12/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide?
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 355.64 g/mol, XLogP of 1.47, 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-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 40753294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).