N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide

C14H20FNO4S2 — CID 16822499

IUPACN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO4S2/c1-11(2)9-16(13-7-8-21(17,18)10-13)22(19,20)14-5-3-12(15)4-6-14/h3-6,11,13H,7-10H2,1-2H3
InChIKeyQFTQALOXEABIKP-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.66
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 16822499) has the molecular formula C14H20FNO4S2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID16822499
Molecular FormulaC14H20FNO4S2
Molecular Weight349.45 g/mol
Exact Mass349.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO4S2/c1-11(2)9-16(13-7-8-21(17,18)10-13)22(19,20)14-5-3-12(15)4-6-14/h3-6,11,13H,7-10H2,1-2H3
InChIKeyQFTQALOXEABIKP-UHFFFAOYSA-N
XLogP1.66
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 16822499) is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is QFTQALOXEABIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S2/c1-11(2)9-16(13-7-8-21(17,18)10-13)22(19,20)14-5-3-12(15)4-6-14/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 16822499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).