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

C13H11Cl2NO2S — CID 2492101

IUPAC4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO2S/c14-11-5-7-12(8-6-11)19(17,18)16-9-10-3-1-2-4-13(10)15/h1-8,16H,9H2
InChIKeyQRYNRPHTUBRJOP-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.47
Rot. Bonds4

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

4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 2492101) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
PubChem CID2492101
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO2S/c14-11-5-7-12(8-6-11)19(17,18)16-9-10-3-1-2-4-13(10)15/h1-8,16H,9H2
InChIKeyQRYNRPHTUBRJOP-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
CID 53497721
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide (CID 2492101) is 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is QRYNRPHTUBRJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c14-11-5-7-12(8-6-11)19(17,18)16-9-10-3-1-2-4-13(10)15/h1-8,16H,9H2.
What are the key properties of 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 316.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2492101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).