1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide

C13H12BrFN2O2S — CID 107624704

IUPAC1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)Nc2cc(F)ccc2Br)cc1
InChIInChI=1S/C13H12BrFN2O2S/c14-12-6-3-10(15)7-13(12)17-20(18,19)8-9-1-4-11(16)5-2-9/h1-7,17H,8,16H2
InChIKeyYTBHSHTWEISWNP-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide

1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide (PubChem CID 107624704) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
PubChem CID107624704
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)Nc2cc(F)ccc2Br)cc1
InChIInChI=1S/C13H12BrFN2O2S/c14-12-6-3-10(15)7-13(12)17-20(18,19)8-9-1-4-11(16)5-2-9/h1-7,17H,8,16H2
InChIKeyYTBHSHTWEISWNP-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107629618
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
CID 107626087
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide (CID 107624704) is 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide is Nc1ccc(CS(=O)(=O)Nc2cc(F)ccc2Br)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The InChIKey is YTBHSHTWEISWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c14-12-6-3-10(15)7-13(12)17-20(18,19)8-9-1-4-11(16)5-2-9/h1-7,17H,8,16H2.
What are the key properties of 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 107624704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).