[5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

C15H13ClF2N2O4S — CID 3706292

IUPAC[5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13ClF2N2O4S/c1-20(2)25(22,23)24-14-7-9(16)3-5-11(14)15(21)19-13-6-4-10(17)8-12(13)18/h3-8H,1-2H3,(H,19,21)
InChIKeyZQASMORBTFKZBR-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.06
Rot. Bonds5

About [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

[5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (PubChem CID 3706292) has the molecular formula C15H13ClF2N2O4S and a molecular weight of 390.80 g/mol. Its IUPAC name is [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
PubChem CID3706292
Molecular FormulaC15H13ClF2N2O4S
Molecular Weight390.80 g/mol
Exact Mass390.03
IUPAC Name[5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13ClF2N2O4S/c1-20(2)25(22,23)24-14-7-9(16)3-5-11(14)15(21)19-13-6-4-10(17)8-12(13)18/h3-8H,1-2H3,(H,19,21)
InChIKeyZQASMORBTFKZBR-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (CID 3706292) is [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is ZQASMORBTFKZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O4S/c1-20(2)25(22,23)24-14-7-9(16)3-5-11(14)15(21)19-13-6-4-10(17)8-12(13)18/h3-8H,1-2H3,(H,19,21).
What are the key properties of [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
[5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 390.80 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2,4-difluorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 3706292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).