N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H15Cl2FN2O2S — CID 83079123

IUPACN-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H15Cl2FN2O2S/c1-7(2)15-3-4-19(17,18)16-11-9(12)5-8(14)6-10(11)13/h5-7,15-16H,3-4H2,1-2H3
InChIKeyXQBDUMROVVOVGS-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.87
Rot. Bonds6

About N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 83079123) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID83079123
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H15Cl2FN2O2S/c1-7(2)15-3-4-19(17,18)16-11-9(12)5-8(14)6-10(11)13/h5-7,15-16H,3-4H2,1-2H3
InChIKeyXQBDUMROVVOVGS-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
CID 83079200
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 107595222
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54974025

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 83079123) is N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is XQBDUMROVVOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2FN2O2S/c1-7(2)15-3-4-19(17,18)16-11-9(12)5-8(14)6-10(11)13/h5-7,15-16H,3-4H2,1-2H3.
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 83079123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).