4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide

C14H14BrClN2O2S — CID 81280802

IUPAC4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-14-7-4-11(16)8-13(14)15/h2-9,18H,17H2,1H3
InChIKeyOEHSXWRBFGWDLG-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.92
Rot. Bonds4

About 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide

4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide (PubChem CID 81280802) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
PubChem CID81280802
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-14-7-4-11(16)8-13(14)15/h2-9,18H,17H2,1H3
InChIKeyOEHSXWRBFGWDLG-UHFFFAOYSA-N
XLogP3.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
CID 22773581
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 67972113
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide (CID 81280802) is 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide?
The InChIKey is OEHSXWRBFGWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-9(17)10-2-5-12(6-3-10)21(19,20)18-14-7-4-11(16)8-13(14)15/h2-9,18H,17H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 81280802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).