N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide

C22H20ClFN2O4S — CID 36589093

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COc2ccccc2F)ccc1Cl
InChIInChI=1S/C22H20ClFN2O4S/c1-2-26(17-8-4-3-5-9-17)31(28,29)21-14-16(12-13-18(21)23)25-22(27)15-30-20-11-7-6-10-19(20)24/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyJBMVGUOPTSAVDU-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.71
Rot. Bonds8

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 36589093) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID36589093
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COc2ccccc2F)ccc1Cl
InChIInChI=1S/C22H20ClFN2O4S/c1-2-26(17-8-4-3-5-9-17)31(28,29)21-14-16(12-13-18(21)23)25-22(27)15-30-20-11-7-6-10-19(20)24/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyJBMVGUOPTSAVDU-UHFFFAOYSA-N
XLogP4.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 55327646
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 4840754
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34058902
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide (CID 36589093) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COc2ccccc2F)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is JBMVGUOPTSAVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-2-26(17-8-4-3-5-9-17)31(28,29)21-14-16(12-13-18(21)23)25-22(27)15-30-20-11-7-6-10-19(20)24/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 462.93 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 36589093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).