5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide

C13H11Br2FN2O2S — CID 106058466

IUPAC5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C13H11Br2FN2O2S/c14-9-2-4-12(11(16)6-9)18-21(19,20)13-5-8(7-17)1-3-10(13)15/h1-6,18H,7,17H2
InChIKeyGXCCSAFMQAONNX-UHFFFAOYSA-N
MW438.12 g/mol
LogP3.61
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide (PubChem CID 106058466) has the molecular formula C13H11Br2FN2O2S and a molecular weight of 438.12 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
PubChem CID106058466
Molecular FormulaC13H11Br2FN2O2S
Molecular Weight438.12 g/mol
Exact Mass435.89
IUPAC Name5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C13H11Br2FN2O2S/c14-9-2-4-12(11(16)6-9)18-21(19,20)13-5-8(7-17)1-3-10(13)15/h1-6,18H,7,17H2
InChIKeyGXCCSAFMQAONNX-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

4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide (CID 106058466) is 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide is NCc1ccc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide?
The InChIKey is GXCCSAFMQAONNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O2S/c14-9-2-4-12(11(16)6-9)18-21(19,20)13-5-8(7-17)1-3-10(13)15/h1-6,18H,7,17H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide 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 5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 106058466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).