ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate

C16H17FN2O4S — CID 60534530

IUPACethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-3-23-16(20)18-12-5-7-13(8-6-12)19-24(21,22)14-9-4-11(2)15(17)10-14/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyOFPUVCFUXSWTMC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.50
Rot. Bonds5

About ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate

ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate (PubChem CID 60534530) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
PubChem CID60534530
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Nameethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-3-23-16(20)18-12-5-7-13(8-6-12)19-24(21,22)14-9-4-11(2)15(17)10-14/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyOFPUVCFUXSWTMC-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
methyl 2-chloro-5-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate
CID 51121376
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate (CID 60534530) is ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate?
The InChIKey is OFPUVCFUXSWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-3-23-16(20)18-12-5-7-13(8-6-12)19-24(21,22)14-9-4-11(2)15(17)10-14/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate?
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 60534530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).