N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide

C13H18FNO4S2 — CID 18083639

IUPACN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide
SMILESCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S2/c1-2-8-15(12-7-9-20(16,17)10-12)21(18,19)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10H2,1H3
InChIKeyGHPFCVKKVOZLCI-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.41
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide (PubChem CID 18083639) has the molecular formula C13H18FNO4S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide
PubChem CID18083639
Molecular FormulaC13H18FNO4S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide
SMILESCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S2/c1-2-8-15(12-7-9-20(16,17)10-12)21(18,19)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10H2,1H3
InChIKeyGHPFCVKKVOZLCI-UHFFFAOYSA-N
XLogP1.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Methyl(phenylsulfonyl)amino]thiolane-1,1-dione
CID 3152342
4-fluoro-N-methyl-N-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)benzenesulfonamide
CID 2984485
1-Hydroxy-3-[(phenylsulfonyl)amino]thiolan-1-one
CID 2906106
4-[(4-Fluorophenyl)sulfonyl]-1,4-thiazaperhydroine
CID 747730
3-{Butyl[(4-methylphenyl)sulfonyl]amino}thiolane-1,1-dione
CID 2857218
N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 2164637
n-(1,1-Dioxidotetrahydrothiophen-3-yl)-4-fluorobenzenesulfonamide
CID 2810892
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylbenzenesulfonamide
CID 18573649
1-({3-[(1,1-Dioxidotetrahydrothiophen-3-yl)sulfonyl]phenyl}sulfonyl)pyrrolidine
CID 42654597
1-((4-Fluoro-3-methylphenyl)sulfonyl)-3-(methylsulfonyl)pyrrolidine
CID 71805537
1-((3,4-Difluorophenyl)sulfonyl)-3-(methylsulfonyl)pyrrolidine
CID 71805541
1-((3,4-Difluorophenyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805714

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide (CID 18083639) is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide is CCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide?
The InChIKey is GHPFCVKKVOZLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S2/c1-2-8-15(12-7-9-20(16,17)10-12)21(18,19)13-5-3-11(14)4-6-13/h3-6,12H,2,7-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide has a molecular weight of 335.42 g/mol, XLogP of 1.41, 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-propylbenzenesulfonamide is sourced from PubChem (CID 18083639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).