3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide

C18H20ClFN2O3S — CID 113067577

IUPAC3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(Cl)c1)CCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(11-9-14-5-2-3-8-17(14)20)12-10-21-18(23)15-6-4-7-16(19)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyWLGYJBQTAAKSCI-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.71
Rot. Bonds8

About 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide

3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113067577) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113067577
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(Cl)c1)CCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(11-9-14-5-2-3-8-17(14)20)12-10-21-18(23)15-6-4-7-16(19)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyWLGYJBQTAAKSCI-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide (CID 113067577) is 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1cccc(Cl)c1)CCc1ccccc1F.
What is the InChIKey of 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is WLGYJBQTAAKSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(11-9-14-5-2-3-8-17(14)20)12-10-21-18(23)15-6-4-7-16(19)13-15/h2-8,13H,9-12H2,1H3,(H,21,23).
What are the key properties of 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113067577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).