ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate

C16H17FN2O4S — CID 47063028

IUPACethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C16H17FN2O4S/c1-3-23-16(20)18-13-5-7-14(8-6-13)19-24(21,22)15-9-4-12(17)10-11(15)2/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyYGZKKSHFLRNBCA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.50
Rot. Bonds5

About ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate

ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate (PubChem CID 47063028) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate
PubChem CID47063028
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Nameethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C16H17FN2O4S/c1-3-23-16(20)18-13-5-7-14(8-6-13)19-24(21,22)15-9-4-12(17)10-11(15)2/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyYGZKKSHFLRNBCA-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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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate (CID 47063028) is ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1.
What is the InChIKey of ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate?
The InChIKey is YGZKKSHFLRNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-3-23-16(20)18-13-5-7-14(8-6-13)19-24(21,22)15-9-4-12(17)10-11(15)2/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate?
ethyl N-[4-[(4-fluoro-2-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-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 47063028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).