N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide

C10H14BrClN2O2S — CID 54972468

IUPACN-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-2-13-5-6-17(15,16)14-10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyFCLMRKXNNPAWFY-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.45
Rot. Bonds6

About N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide

N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 54972468) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
PubChem CID54972468
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-2-13-5-6-17(15,16)14-10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyFCLMRKXNNPAWFY-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
CID 114260649
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 62145351
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide (CID 54972468) is N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is FCLMRKXNNPAWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-2-13-5-6-17(15,16)14-10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide?
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 341.66 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54972468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).