N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide

C11H14FNO2S3 — CID 115685195

IUPACN-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CSCCS1)c1ccccc1F
InChIInChI=1S/C11H14FNO2S3/c12-10-3-1-2-4-11(10)18(14,15)13-7-9-8-16-5-6-17-9/h1-4,9,13H,5-8H2
InChIKeyWRWOSNDPDKJAJW-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.95
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide

N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide (PubChem CID 115685195) has the molecular formula C11H14FNO2S3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
PubChem CID115685195
Molecular FormulaC11H14FNO2S3
Molecular Weight307.44 g/mol
Exact Mass307.02
IUPAC NameN-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CSCCS1)c1ccccc1F
InChIInChI=1S/C11H14FNO2S3/c12-10-3-1-2-4-11(10)18(14,15)13-7-9-8-16-5-6-17-9/h1-4,9,13H,5-8H2
InChIKeyWRWOSNDPDKJAJW-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106078424
2,5-dibromo-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253321
4-bromo-2-chloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253324
3-(aminomethyl)-5-bromo-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 106078416
2-[(sulfamoylamino)methyl]-1,4-dithiane
CID 115688641
2-chloro-4-cyano-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 103989835
2-chloro-N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106078391
N-[[(2S)-1,4-dithian-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95975392
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
CID 106078465
2-bromo-N-(1,4-dithian-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106078422
3-(aminomethyl)-2,5-dichloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 106078374
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide (CID 115685195) is N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCC1CSCCS1)c1ccccc1F.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide?
The InChIKey is WRWOSNDPDKJAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S3/c12-10-3-1-2-4-11(10)18(14,15)13-7-9-8-16-5-6-17-9/h1-4,9,13H,5-8H2.
What are the key properties of N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide?
N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 115685195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).