N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide

C13H13BrN2O2S — CID 28973446

IUPACN-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O2S/c1-9-6-7-10(15)8-12(9)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3
InChIKeySRHHQQAEQORLBE-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.14
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide

N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide (PubChem CID 28973446) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
PubChem CID28973446
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O2S/c1-9-6-7-10(15)8-12(9)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3
InChIKeySRHHQQAEQORLBE-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.14
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-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
N-(5-amino-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82839900
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide (CID 28973446) is N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide is Cc1ccc(N)cc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide?
The InChIKey is SRHHQQAEQORLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-6-7-10(15)8-12(9)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide?
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide is sourced from PubChem (CID 28973446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).