2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline

C14H13Cl2NO2S — CID 43682068

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Cl)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-20(18,19)11-6-7-13(16)14(8-11)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3
InChIKeyFXRKIYXDMCERTN-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline

2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline (PubChem CID 43682068) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
PubChem CID43682068
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Cl)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-20(18,19)11-6-7-13(16)14(8-11)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3
InChIKeyFXRKIYXDMCERTN-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,4-bis(methylsulfonyl)aniline
CID 51271206
2-[(2-chloro-5-methylsulfonylanilino)methyl]benzonitrile
CID 107935877
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080
2-chloro-N-[(3-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682081
2-chloro-N-[(3-fluorophenyl)methyl]-5-methylsulfonylaniline
CID 43682077
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline
CID 60780234
N-[(5-bromo-2-chlorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 103696975
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
4-chloro-3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951518
2-chloro-5-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43682106
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 103347490
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline (CID 43682068) is 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline is CS(=O)(=O)c1ccc(Cl)c(NCc2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline?
The InChIKey is FXRKIYXDMCERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-20(18,19)11-6-7-13(16)14(8-11)17-9-10-4-2-3-5-12(10)15/h2-8,17H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline?
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline has a molecular weight of 330.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline is sourced from PubChem (CID 43682068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).