N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide

C10H14FNO4S2 — CID 143242702

IUPACN-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(SC(O)(O)F)c1ccccc1
InChIInChI=1S/C10H14FNO4S2/c1-8(2)18(15,16)12(17-10(11,13)14)9-6-4-3-5-7-9/h3-8,13-14H,1-2H3
InChIKeyVDZKLTJFDGUCOP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.44
Rot. Bonds5

About N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide

N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide (PubChem CID 143242702) has the molecular formula C10H14FNO4S2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide
PubChem CID143242702
Molecular FormulaC10H14FNO4S2
Molecular Weight295.36 g/mol
Exact Mass295.03
IUPAC NameN-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(SC(O)(O)F)c1ccccc1
InChIInChI=1S/C10H14FNO4S2/c1-8(2)18(15,16)12(17-10(11,13)14)9-6-4-3-5-7-9/h3-8,13-14H,1-2H3
InChIKeyVDZKLTJFDGUCOP-UHFFFAOYSA-N
XLogP1.44
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide?
The IUPAC name of N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide (CID 143242702) is N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide.
What is the SMILES notation for N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide?
The canonical SMILES for N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(SC(O)(O)F)c1ccccc1.
What is the InChIKey of N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide?
The InChIKey is VDZKLTJFDGUCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4S2/c1-8(2)18(15,16)12(17-10(11,13)14)9-6-4-3-5-7-9/h3-8,13-14H,1-2H3.
What are the key properties of N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide?
N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro(dihydroxy)methyl]sulfanyl-N-phenylpropane-2-sulfonamide is sourced from PubChem (CID 143242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).