N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide

C17H18ClFN2O3S — CID 60532304

IUPACN-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1F)C(C)=O
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(12(2)22)11-13-7-4-5-9-15(13)20-25(23,24)16-10-6-8-14(18)17(16)19/h4-10,20H,3,11H2,1-2H3
InChIKeyKSTWIDGBYLLIKR-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.65
Rot. Bonds6

About N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide

N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide (PubChem CID 60532304) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
PubChem CID60532304
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1F)C(C)=O
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(12(2)22)11-13-7-4-5-9-15(13)20-25(23,24)16-10-6-8-14(18)17(16)19/h4-10,20H,3,11H2,1-2H3
InChIKeyKSTWIDGBYLLIKR-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 47062885
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500
methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 39869765
ethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]-3-bromobenzoate
CID 39869856
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
N-ethyl-N-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 47062882
N-ethyl-N-[[2-[[(Z)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 94619751
N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532191
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
CID 22888906
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide (CID 60532304) is N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide is CCN(Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1F)C(C)=O.
What is the InChIKey of N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
The InChIKey is KSTWIDGBYLLIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-21(12(2)22)11-13-7-4-5-9-15(13)20-25(23,24)16-10-6-8-14(18)17(16)19/h4-10,20H,3,11H2,1-2H3.
What are the key properties of N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide?
N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide has a molecular weight of 384.86 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide is sourced from PubChem (CID 60532304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).