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

C13H11Br2NO2S — CID 3749257

IUPAC3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cccc(Br)c1
InChIInChI=1S/C13H11Br2NO2S/c14-11-5-3-6-12(8-11)19(17,18)16-9-10-4-1-2-7-13(10)15/h1-8,16H,9H2
InChIKeyBOEYIHYGNRQEJC-UHFFFAOYSA-N
MW405.11 g/mol
LogP3.69
Rot. Bonds4

About 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide

3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide (PubChem CID 3749257) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
PubChem CID3749257
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cccc(Br)c1
InChIInChI=1S/C13H11Br2NO2S/c14-11-5-3-6-12(8-11)19(17,18)16-9-10-4-1-2-7-13(10)15/h1-8,16H,9H2
InChIKeyBOEYIHYGNRQEJC-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

N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
3-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3859291
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
CID 47204563
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzenesulfonamide
CID 63359526
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide (CID 3749257) is 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1Br)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
The InChIKey is BOEYIHYGNRQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c14-11-5-3-6-12(8-11)19(17,18)16-9-10-4-1-2-7-13(10)15/h1-8,16H,9H2.
What are the key properties of 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide?
3-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 3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3749257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).