N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide

C16H16FNO4S — CID 110752869

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)ccc1F
InChIInChI=1S/C16H16FNO4S/c1-11-9-13(4-5-14(11)17)23(19,20)18(2)12-3-6-15-16(10-12)22-8-7-21-15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyABCDFHCOGHXXMX-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.73
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide (PubChem CID 110752869) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
PubChem CID110752869
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)ccc1F
InChIInChI=1S/C16H16FNO4S/c1-11-9-13(4-5-14(11)17)23(19,20)18(2)12-3-6-15-16(10-12)22-8-7-21-15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyABCDFHCOGHXXMX-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
CID 95969443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 100522840
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752600
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110751222
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 110752872
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110752738
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide
CID 110752878

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide (CID 110752869) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)ccc1F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The InChIKey is ABCDFHCOGHXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-11-9-13(4-5-14(11)17)23(19,20)18(2)12-3-6-15-16(10-12)22-8-7-21-15/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 110752869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).