2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide

C14H15BrN2O2S2 — CID 61127258

IUPAC2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H15BrN2O2S2/c1-2-20-13-6-4-3-5-12(13)17-21(18,19)14-9-10(15)7-8-11(14)16/h3-9,17H,2,16H2,1H3
InChIKeyJNWFSZDJMKFGPC-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.94
Rot. Bonds5

About 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide

2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide (PubChem CID 61127258) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
PubChem CID61127258
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H15BrN2O2S2/c1-2-20-13-6-4-3-5-12(13)17-21(18,19)14-9-10(15)7-8-11(14)16/h3-9,17H,2,16H2,1H3
InChIKeyJNWFSZDJMKFGPC-UHFFFAOYSA-N
XLogP3.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
CID 61298508
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861996
2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823907
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide (CID 61127258) is 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide is CCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
The InChIKey is JNWFSZDJMKFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-2-20-13-6-4-3-5-12(13)17-21(18,19)14-9-10(15)7-8-11(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 61127258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).