4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide

C13H11Br2FN2O2S — CID 61127182

IUPAC4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2cc(F)ccc2Br)c(Br)c1
InChIInChI=1S/C13H11Br2FN2O2S/c14-11-3-1-9(16)5-8(11)7-18-21(19,20)13-4-2-10(17)6-12(13)15/h1-6,18H,7,17H2
InChIKeyKKJSWJSHYYPBAU-UHFFFAOYSA-N
MW438.12 g/mol
LogP3.41
Rot. Bonds4

About 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide

4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 61127182) has the molecular formula C13H11Br2FN2O2S and a molecular weight of 438.12 g/mol. Its IUPAC name is 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
PubChem CID61127182
Molecular FormulaC13H11Br2FN2O2S
Molecular Weight438.12 g/mol
Exact Mass435.89
IUPAC Name4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2cc(F)ccc2Br)c(Br)c1
InChIInChI=1S/C13H11Br2FN2O2S/c14-11-3-1-9(16)5-8(11)7-18-21(19,20)13-4-2-10(17)6-12(13)15/h1-6,18H,7,17H2
InChIKeyKKJSWJSHYYPBAU-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 43256455
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
2-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61022422

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide (CID 61127182) is 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2cc(F)ccc2Br)c(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is KKJSWJSHYYPBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O2S/c14-11-3-1-9(16)5-8(11)7-18-21(19,20)13-4-2-10(17)6-12(13)15/h1-6,18H,7,17H2.
What are the key properties of 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide?
4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 438.12 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61127182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).