N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide

C11H10ClFN2O3S — CID 82531735

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide
SMILESN#CCCS(=O)(=O)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O3S/c12-9-6-8(2-3-10(9)13)15-11(16)7-19(17,18)5-1-4-14/h2-3,6H,1,5,7H2,(H,15,16)
InChIKeyRWQHJBFNEBBHFD-UHFFFAOYSA-N
MW304.73 g/mol
LogP1.75
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide (PubChem CID 82531735) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide
PubChem CID82531735
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide
SMILESN#CCCS(=O)(=O)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O3S/c12-9-6-8(2-3-10(9)13)15-11(16)7-19(17,18)5-1-4-14/h2-3,6H,1,5,7H2,(H,15,16)
InChIKeyRWQHJBFNEBBHFD-UHFFFAOYSA-N
XLogP1.75
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide
CID 96694943
N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 110285381
2-(3-chloro-4-fluoroanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26508347
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide (CID 82531735) is N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide is N#CCCS(=O)(=O)CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide?
The InChIKey is RWQHJBFNEBBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c12-9-6-8(2-3-10(9)13)15-11(16)7-19(17,18)5-1-4-14/h2-3,6H,1,5,7H2,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide has a molecular weight of 304.73 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-cyanoethylsulfonyl)acetamide is sourced from PubChem (CID 82531735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).