2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide

C17H18ClFN2O3S — CID 113066969

IUPAC2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-25(23,24)21(12-13-6-8-14(19)9-7-13)11-10-20-17(22)15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyJTHICXYOOXXWEU-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.67
Rot. Bonds7

About 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide

2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113066969) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113066969
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-25(23,24)21(12-13-6-8-14(19)9-7-13)11-10-20-17(22)15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyJTHICXYOOXXWEU-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide (CID 113066969) is 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1ccccc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is JTHICXYOOXXWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-25(23,24)21(12-13-6-8-14(19)9-7-13)11-10-20-17(22)15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide?
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 384.86 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113066969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).