4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide

C13H11Br2FN2O2S — CID 106007285

IUPAC4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)c(F)c1
InChIInChI=1S/C13H11Br2FN2O2S/c14-9-2-3-10(15)12(6-9)18-21(19,20)13-4-1-8(7-17)5-11(13)16/h1-6,18H,7,17H2
InChIKeyHLZBFEORRWYVOC-UHFFFAOYSA-N
MW438.12 g/mol
LogP3.61
Rot. Bonds4

About 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide (PubChem CID 106007285) has the molecular formula C13H11Br2FN2O2S and a molecular weight of 438.12 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
PubChem CID106007285
Molecular FormulaC13H11Br2FN2O2S
Molecular Weight438.12 g/mol
Exact Mass435.89
IUPAC Name4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)c(F)c1
InChIInChI=1S/C13H11Br2FN2O2S/c14-9-2-3-10(15)12(6-9)18-21(19,20)13-4-1-8(7-17)5-11(13)16/h1-6,18H,7,17H2
InChIKeyHLZBFEORRWYVOC-UHFFFAOYSA-N
XLogP3.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466
4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
4-(aminomethyl)-N-(3,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 106060049
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide (CID 106007285) is 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is HLZBFEORRWYVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O2S/c14-9-2-3-10(15)12(6-9)18-21(19,20)13-4-1-8(7-17)5-11(13)16/h1-6,18H,7,17H2.
What are the key properties of 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 438.12 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106007285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).