3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide

C13H10BrCl2NO2S — CID 106610688

IUPAC3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H10BrCl2NO2S/c14-11-7-10(5-6-13(11)16)20(18,19)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2
InChIKeyARINCMSGPKWQQB-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.23
Rot. Bonds4

About 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide

3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 106610688) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
PubChem CID106610688
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H10BrCl2NO2S/c14-11-7-10(5-6-13(11)16)20(18,19)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2
InChIKeyARINCMSGPKWQQB-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
CID 53497721
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide (CID 106610688) is 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is ARINCMSGPKWQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c14-11-7-10(5-6-13(11)16)20(18,19)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2.
What are the key properties of 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106610688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).