N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H16BrIN2O2S — CID 114262255

IUPACN-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C11H16BrIN2O2S/c1-8(2)14-5-6-18(16,17)15-9-3-4-11(13)10(12)7-9/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyFAJWMGRARWKGKZ-UHFFFAOYSA-N
MW447.14 g/mol
LogP2.79
Rot. Bonds6

About N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 114262255) has the molecular formula C11H16BrIN2O2S and a molecular weight of 447.14 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID114262255
Molecular FormulaC11H16BrIN2O2S
Molecular Weight447.14 g/mol
Exact Mass445.92
IUPAC NameN-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C11H16BrIN2O2S/c1-8(2)14-5-6-18(16,17)15-9-3-4-11(13)10(12)7-9/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyFAJWMGRARWKGKZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.14
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline
CID 164656022
N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 113249970
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107575659
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
methyl 2-[(3-bromo-4-iodophenyl)sulfamoyl]propanoate
CID 114262200
N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 79730231
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 114262255) is N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1ccc(I)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is FAJWMGRARWKGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrIN2O2S/c1-8(2)14-5-6-18(16,17)15-9-3-4-11(13)10(12)7-9/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 447.14 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 114262255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).