2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline

C12H11Cl2NO3S — CID 60780234

IUPAC2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Cl)c(NCc2ccc(Cl)o2)c1
InChIInChI=1S/C12H11Cl2NO3S/c1-19(16,17)9-3-4-10(13)11(6-9)15-7-8-2-5-12(14)18-8/h2-6,15H,7H2,1H3
InChIKeyZBJJGQGHNBQHHS-UHFFFAOYSA-N
MW320.20 g/mol
LogP3.60
Rot. Bonds4

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

2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline (PubChem CID 60780234) has the molecular formula C12H11Cl2NO3S and a molecular weight of 320.20 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline
PubChem CID60780234
Molecular FormulaC12H11Cl2NO3S
Molecular Weight320.20 g/mol
Exact Mass318.98
IUPAC Name2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Cl)c(NCc2ccc(Cl)o2)c1
InChIInChI=1S/C12H11Cl2NO3S/c1-19(16,17)9-3-4-10(13)11(6-9)15-7-8-2-5-12(14)18-8/h2-6,15H,7H2,1H3
InChIKeyZBJJGQGHNBQHHS-UHFFFAOYSA-N
XLogP3.60
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
CID 43682068
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080
2-chloro-N-(2-methylbutyl)-5-methylsulfonylaniline
CID 43682056
2-chloro-N-[(3-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682081
2-chloro-5-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43682106
2-chloro-N-[(3-fluorophenyl)methyl]-5-methylsulfonylaniline
CID 43682077
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
2-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43682174
2-[(2-chloro-5-methylsulfonylanilino)methyl]benzonitrile
CID 107935877
N-[(3-bromo-4-fluorophenyl)methyl]-2-chloro-5-methylsulfonylaniline
CID 43682144
2-chloro-N-[(1-methylimidazol-2-yl)methyl]-5-methylsulfonylaniline
CID 55064722
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 60780224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline (CID 60780234) is 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline is CS(=O)(=O)c1ccc(Cl)c(NCc2ccc(Cl)o2)c1.
What is the InChIKey of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline?
The InChIKey is ZBJJGQGHNBQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S/c1-19(16,17)9-3-4-10(13)11(6-9)15-7-8-2-5-12(14)18-8/h2-6,15H,7H2,1H3.
What are the key properties of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline?
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline has a molecular weight of 320.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline is sourced from PubChem (CID 60780234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).