N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide

C11H15F2NO3S — CID 178073815

IUPACN-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide
SMILESCOCC(C)S(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO3S/c1-8(7-17-2)18(15,16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyLNJWDNNIWXTUGT-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.42
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide

N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide (PubChem CID 178073815) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide
PubChem CID178073815
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide
SMILESCOCC(C)S(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO3S/c1-8(7-17-2)18(15,16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyLNJWDNNIWXTUGT-UHFFFAOYSA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide (CID 178073815) is N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide is COCC(C)S(=O)(=O)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide?
The InChIKey is LNJWDNNIWXTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-8(7-17-2)18(15,16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide?
N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 178073815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).