5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide

C14H14BrClN2O2S — CID 107618486

IUPAC5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-2-9-3-4-10(17)7-14(9)21(19,20)18-11-5-6-12(15)13(16)8-11/h3-8,18H,2,17H2,1H3
InChIKeyURTNRHMOCHGDBU-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.05
Rot. Bonds4

About 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide

5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide (PubChem CID 107618486) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
PubChem CID107618486
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-2-9-3-4-10(17)7-14(9)21(19,20)18-11-5-6-12(15)13(16)8-11/h3-8,18H,2,17H2,1H3
InChIKeyURTNRHMOCHGDBU-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-amino-N-(2,4-dichlorophenyl)-2-ethylbenzenesulfonamide
CID 43256364
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
CID 107618570
N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
CID 106000455
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide
CID 107616514
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide (CID 107618486) is 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide?
The InChIKey is URTNRHMOCHGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-2-9-3-4-10(17)7-14(9)21(19,20)18-11-5-6-12(15)13(16)8-11/h3-8,18H,2,17H2,1H3.
What are the key properties of 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide?
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 107618486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).