N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide

C21H17ClF2N2O3S — CID 43030093

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cc(F)ccc2F)ccc1Cl
InChIInChI=1S/C21H17ClF2N2O3S/c1-2-26(16-6-4-3-5-7-16)30(28,29)20-13-15(9-10-18(20)22)25-21(27)17-12-14(23)8-11-19(17)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyNYRYFLXVKNUANG-UHFFFAOYSA-N
MW450.89 g/mol
LogP5.09
Rot. Bonds6

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide (PubChem CID 43030093) has the molecular formula C21H17ClF2N2O3S and a molecular weight of 450.89 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
PubChem CID43030093
Molecular FormulaC21H17ClF2N2O3S
Molecular Weight450.89 g/mol
Exact Mass450.06
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cc(F)ccc2F)ccc1Cl
InChIInChI=1S/C21H17ClF2N2O3S/c1-2-26(16-6-4-3-5-7-16)30(28,29)20-13-15(9-10-18(20)22)25-21(27)17-12-14(23)8-11-19(17)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyNYRYFLXVKNUANG-UHFFFAOYSA-N
XLogP5.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.89
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 26578423
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584101
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 112816128
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide (CID 43030093) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cc(F)ccc2F)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide?
The InChIKey is NYRYFLXVKNUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3S/c1-2-26(16-6-4-3-5-7-16)30(28,29)20-13-15(9-10-18(20)22)25-21(27)17-12-14(23)8-11-19(17)24/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide has a molecular weight of 450.89 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide is sourced from PubChem (CID 43030093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).