N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide

C16H16ClFN2O3S — CID 36766369

IUPACN-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H16ClFN2O3S/c1-2-8-24(22,23)20-13-5-3-4-11(9-13)16(21)19-15-7-6-12(17)10-14(15)18/h3-7,9-10,20H,2,8H2,1H3,(H,19,21)
InChIKeyIIWNFTYIQPQRLY-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.88
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide

N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide (PubChem CID 36766369) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
PubChem CID36766369
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H16ClFN2O3S/c1-2-8-24(22,23)20-13-5-3-4-11(9-13)16(21)19-15-7-6-12(17)10-14(15)18/h3-7,9-10,20H,2,8H2,1H3,(H,19,21)
InChIKeyIIWNFTYIQPQRLY-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(propylsulfonylamino)benzamide
CID 120881058
N-(2-chlorophenyl)-3-(ethylsulfonylamino)benzamide
CID 36705442
N-(2,5-dihydroxyphenyl)-3-(hexadecylsulfonylamino)benzamide
CID 19763169
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
[2-(4-chloroanilino)-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552969
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36859745
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55553078
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide (CID 36766369) is N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is IIWNFTYIQPQRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-2-8-24(22,23)20-13-5-3-4-11(9-13)16(21)19-15-7-6-12(17)10-14(15)18/h3-7,9-10,20H,2,8H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide?
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 370.83 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 36766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).