N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide

C12H17F2NO2S — CID 166951325

IUPACN-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C12H17F2NO2S/c1-4-7-18(16,17)15-10-6-5-9(13)11(8(2)3)12(10)14/h5-6,8,15H,4,7H2,1-3H3
InChIKeyHARHDEZZOWCOHR-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.24
Rot. Bonds5

About N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide

N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide (PubChem CID 166951325) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide
PubChem CID166951325
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC NameN-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C12H17F2NO2S/c1-4-7-18(16,17)15-10-6-5-9(13)11(8(2)3)12(10)14/h5-6,8,15H,4,7H2,1-3H3
InChIKeyHARHDEZZOWCOHR-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 168530000
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
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N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide
CID 177029806
2,6-difluoro-3-(pentylsulfonylamino)benzoic acid
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N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
2,4-difluoro-N-[methylidene(propyl)-λ4-sulfanyl]-3-propan-2-ylaniline
CID 162445203
N-[2,4-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-1-sulfonamide
CID 51034690
CID 88925076
CID 88925076
N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58086926
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide (CID 166951325) is N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(C)C)c1F.
What is the InChIKey of N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide?
The InChIKey is HARHDEZZOWCOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-4-7-18(16,17)15-10-6-5-9(13)11(8(2)3)12(10)14/h5-6,8,15H,4,7H2,1-3H3.
What are the key properties of N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide?
N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide has a molecular weight of 277.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-propan-2-ylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 166951325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).