N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide

C14H15BrN2O2S — CID 62146330

IUPACN-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C14H15BrN2O2S/c1-10-7-8-11(15)9-13(10)17-20(18,19)14-6-4-3-5-12(14)16-2/h3-9,16-17H,1-2H3
InChIKeyAXTQYXMFRLVXSJ-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.60
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide

N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide (PubChem CID 62146330) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
PubChem CID62146330
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C14H15BrN2O2S/c1-10-7-8-11(15)9-13(10)17-20(18,19)14-6-4-3-5-12(14)16-2/h3-9,16-17H,1-2H3
InChIKeyAXTQYXMFRLVXSJ-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304876
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 62149038
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
3-amino-N-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide (CID 62146330) is N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide?
The InChIKey is AXTQYXMFRLVXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-7-8-11(15)9-13(10)17-20(18,19)14-6-4-3-5-12(14)16-2/h3-9,16-17H,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide?
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62146330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).