2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide

C13H11Br2NO2S — CID 25146907

IUPAC2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C13H11Br2NO2S/c14-11-6-2-1-5-10(11)9-16-19(17,18)13-8-4-3-7-12(13)15/h1-8,16H,9H2
InChIKeyPVECOHQHGGRPEH-UHFFFAOYSA-N
MW405.11 g/mol
LogP3.69
Rot. Bonds4

About 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide

2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide (PubChem CID 25146907) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
PubChem CID25146907
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C13H11Br2NO2S/c14-11-6-2-1-5-10(11)9-16-19(17,18)13-8-4-3-7-12(13)15/h1-8,16H,9H2
InChIKeyPVECOHQHGGRPEH-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3855876
2-bromo-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4982675
N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61413878
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
N-[(2-bromophenyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088278
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 106051903
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide (CID 25146907) is 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
The InChIKey is PVECOHQHGGRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c14-11-6-2-1-5-10(11)9-16-19(17,18)13-8-4-3-7-12(13)15/h1-8,16H,9H2.
What are the key properties of 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide has a molecular weight of 405.11 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 25146907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).