2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 106051903

IUPAC2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C14H14BrFN2O2S/c15-13-4-2-1-3-11(13)9-18-21(19,20)14-7-12(16)6-5-10(14)8-17/h1-7,18H,8-9,17H2
InChIKeyIMCMULDSNMKQFD-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.53
Rot. Bonds5

About 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide (PubChem CID 106051903) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
PubChem CID106051903
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C14H14BrFN2O2S/c15-13-4-2-1-3-11(13)9-18-21(19,20)14-7-12(16)6-5-10(14)8-17/h1-7,18H,8-9,17H2
InChIKeyIMCMULDSNMKQFD-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
CID 106088872
2-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 102920830
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723
2-(aminomethyl)-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015204
N-[(2-bromophenyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088278
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 102920800
4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
CID 61127182
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide (CID 106051903) is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)NCc1ccccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide?
The InChIKey is IMCMULDSNMKQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c15-13-4-2-1-3-11(13)9-18-21(19,20)14-7-12(16)6-5-10(14)8-17/h1-7,18H,8-9,17H2.
What are the key properties of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106051903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).