N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide

C14H13Cl2NO2S2 — CID 2806168

IUPACN-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S2/c1-21(18,19)17-9-12-13(16)3-2-4-14(12)20-11-7-5-10(15)6-8-11/h2-8,17H,9H2,1H3
InChIKeyOXXQFNJMCJJDGV-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.19
Rot. Bonds5

About N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide

N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide (PubChem CID 2806168) has the molecular formula C14H13Cl2NO2S2 and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide
PubChem CID2806168
Molecular FormulaC14H13Cl2NO2S2
Molecular Weight362.30 g/mol
Exact Mass360.98
IUPAC NameN-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S2/c1-21(18,19)17-9-12-13(16)3-2-4-14(12)20-11-7-5-10(15)6-8-11/h2-8,17H,9H2,1H3
InChIKeyOXXQFNJMCJJDGV-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide (CID 2806168) is N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide?
The InChIKey is OXXQFNJMCJJDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S2/c1-21(18,19)17-9-12-13(16)3-2-4-14(12)20-11-7-5-10(15)6-8-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide?
N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide has a molecular weight of 362.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]methanesulfonamide is sourced from PubChem (CID 2806168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).