2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide

C13H10Cl3NO2S — CID 125467959

IUPAC2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO2S/c14-10-5-6-13(12(16)7-10)20(18,19)17-8-9-3-1-2-4-11(9)15/h1-7,17H,8H2
InChIKeyOUFUQAXMPROFEC-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.13
Rot. Bonds4

About 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide

2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 125467959) has the molecular formula C13H10Cl3NO2S and a molecular weight of 350.65 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
PubChem CID125467959
Molecular FormulaC13H10Cl3NO2S
Molecular Weight350.65 g/mol
Exact Mass348.95
IUPAC Name2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO2S/c14-10-5-6-13(12(16)7-10)20(18,19)17-8-9-3-1-2-4-11(9)15/h1-7,17H,8H2
InChIKeyOUFUQAXMPROFEC-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
CID 3710216
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide (CID 125467959) is 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is OUFUQAXMPROFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO2S/c14-10-5-6-13(12(16)7-10)20(18,19)17-8-9-3-1-2-4-11(9)15/h1-7,17H,8H2.
What are the key properties of 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 350.65 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 125467959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).