6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide

C14H15BrN2O2S — CID 43257564

IUPAC6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C14H15BrN2O2S/c1-9-3-8-13(16)14(10(9)2)20(18,19)17-12-6-4-11(15)5-7-12/h3-8,17H,16H2,1-2H3
InChIKeyHCMFJZWYAYFLCW-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.45
Rot. Bonds3

About 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43257564) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43257564
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2ccc(Br)cc2)c1C
InChIInChI=1S/C14H15BrN2O2S/c1-9-3-8-13(16)14(10(9)2)20(18,19)17-12-6-4-11(15)5-7-12/h3-8,17H,16H2,1-2H3
InChIKeyHCMFJZWYAYFLCW-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.45
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

6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903477
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 60785111
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
CID 43257559
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide (CID 43257564) is 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)Nc2ccc(Br)cc2)c1C.
What is the InChIKey of 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is HCMFJZWYAYFLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9-3-8-13(16)14(10(9)2)20(18,19)17-12-6-4-11(15)5-7-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).