N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide

C14H15BrN2O2S — CID 62099632

IUPACN-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C14H15BrN2O2S/c1-9-7-13(16)14(8-10(9)2)17-20(18,19)12-5-3-11(15)4-6-12/h3-8,17H,16H2,1-2H3
InChIKeyFPKAIJFDOPQQMD-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.45
Rot. Bonds3

About N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide

N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide (PubChem CID 62099632) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
PubChem CID62099632
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C14H15BrN2O2S/c1-9-7-13(16)14(8-10(9)2)17-20(18,19)12-5-3-11(15)4-6-12/h3-8,17H,16H2,1-2H3
InChIKeyFPKAIJFDOPQQMD-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

N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
CID 63063291
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
4-bromo-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 3689822
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide (CID 62099632) is N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide is Cc1cc(N)c(NS(=O)(=O)c2ccc(Br)cc2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide?
The InChIKey is FPKAIJFDOPQQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9-7-13(16)14(8-10(9)2)17-20(18,19)12-5-3-11(15)4-6-12/h3-8,17H,16H2,1-2H3.
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide?
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide 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 N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 62099632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).