4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide

C14H14BrFN2O2S — CID 61016220

IUPAC4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cc(F)ccc2Br)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-17-21(19,20)13-5-3-12(4-6-13)18-9-10-8-11(16)2-7-14(10)15/h2-8,17-18H,9H2,1H3
InChIKeyXKZSWROJNWUWSR-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.11
Rot. Bonds5

About 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide

4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 61016220) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID61016220
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cc(F)ccc2Br)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-17-21(19,20)13-5-3-12(4-6-13)18-9-10-8-11(16)2-7-14(10)15/h2-8,17-18H,9H2,1H3
InChIKeyXKZSWROJNWUWSR-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-fluorophenyl)methylamino]benzenesulfonamide
CID 103579679
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
2-[(2-bromo-5-fluorophenyl)methylamino]-N-methylethanesulfonamide
CID 102675065
4-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2,4-diamine
CID 113368317
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
CID 62124000
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 61068734
1-N-[(2-bromo-5-fluorophenyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749067
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide (CID 61016220) is 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2cc(F)ccc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is XKZSWROJNWUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-17-21(19,20)13-5-3-12(4-6-13)18-9-10-8-11(16)2-7-14(10)15/h2-8,17-18H,9H2,1H3.
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide?
4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).