N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide

C14H14Br2N2O2S — CID 43551086

IUPACN-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1N
InChIInChI=1S/C14H14Br2N2O2S/c1-2-9-3-5-11(8-13(9)17)18-21(19,20)14-7-10(15)4-6-12(14)16/h3-8,18H,2,17H2,1H3
InChIKeyGVNMSNFDWUUOQX-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.16
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide

N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide (PubChem CID 43551086) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
PubChem CID43551086
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC NameN-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1N
InChIInChI=1S/C14H14Br2N2O2S/c1-2-9-3-5-11(8-13(9)17)18-21(19,20)14-7-10(15)4-6-12(14)16/h3-8,18H,2,17H2,1H3
InChIKeyGVNMSNFDWUUOQX-UHFFFAOYSA-N
XLogP4.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.16
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

N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
CID 107697937
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947619

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide (CID 43551086) is N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is GVNMSNFDWUUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-2-9-3-5-11(8-13(9)17)18-21(19,20)14-7-10(15)4-6-12(14)16/h3-8,18H,2,17H2,1H3.
What are the key properties of N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide?
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 43551086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).