2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide

C17H18ClFN2O3S — CID 113068562

IUPAC2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccccc1N(CCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H18ClFN2O3S/c1-12-6-3-4-9-15(12)21(25(2,23)24)11-10-20-17(22)16-13(18)7-5-8-14(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyKUGPWODONCBMSO-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.98
Rot. Bonds6

About 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068562) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068562
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccccc1N(CCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H18ClFN2O3S/c1-12-6-3-4-9-15(12)21(25(2,23)24)11-10-20-17(22)16-13(18)7-5-8-14(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyKUGPWODONCBMSO-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066850
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113068562) is 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is Cc1ccccc1N(CCNC(=O)c1c(F)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is KUGPWODONCBMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-12-6-3-4-9-15(12)21(25(2,23)24)11-10-20-17(22)16-13(18)7-5-8-14(16)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 384.86 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).