N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H15ClF2N2O2S — CID 83087115

IUPACN-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H15ClF2N2O2S/c1-7(2)15-3-4-19(17,18)16-11-9(12)5-8(13)6-10(11)14/h5-7,15-16H,3-4H2,1-2H3
InChIKeyNFONCIHQBOARDP-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.36
Rot. Bonds6

About N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 83087115) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID83087115
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H15ClF2N2O2S/c1-7(2)15-3-4-19(17,18)16-11-9(12)5-8(13)6-10(11)14/h5-7,15-16H,3-4H2,1-2H3
InChIKeyNFONCIHQBOARDP-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 83087115) is N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is NFONCIHQBOARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O2S/c1-7(2)15-3-4-19(17,18)16-11-9(12)5-8(13)6-10(11)14/h5-7,15-16H,3-4H2,1-2H3.
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 312.77 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 83087115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).