N-(4-amino-2-bromophenyl)methanesulfonamide

C7H9BrN2O2S — CID 43550897

IUPACN-(4-amino-2-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-13(11,12)10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKeyUPFULSAWOMTSII-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.40
Rot. Bonds2

About N-(4-amino-2-bromophenyl)methanesulfonamide

N-(4-amino-2-bromophenyl)methanesulfonamide (PubChem CID 43550897) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)methanesulfonamide
PubChem CID43550897
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC NameN-(4-amino-2-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-13(11,12)10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKeyUPFULSAWOMTSII-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)methanesulfonamide (CID 43550897) is N-(4-amino-2-bromophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)methanesulfonamide?
The InChIKey is UPFULSAWOMTSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-13(11,12)10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3.
What are the key properties of N-(4-amino-2-bromophenyl)methanesulfonamide?
N-(4-amino-2-bromophenyl)methanesulfonamide has a molecular weight of 265.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)methanesulfonamide is sourced from PubChem (CID 43550897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).