N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C20H22F2N2O6S2 — CID 25243776

IUPACN-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22F2N2O6S2/c21-16-2-1-3-17(22)20(16)32(27,28)24-14-6-4-13(5-7-14)23-31(25,26)15-8-9-18-19(12-15)30-11-10-29-18/h1-3,8-9,12-14,23-24H,4-7,10-11H2
InChIKeySTNNXSAIRWJEPA-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.30
Rot. Bonds6

About N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 25243776) has the molecular formula C20H22F2N2O6S2 and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID25243776
Molecular FormulaC20H22F2N2O6S2
Molecular Weight488.53 g/mol
Exact Mass488.09
IUPAC NameN-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22F2N2O6S2/c21-16-2-1-3-17(22)20(16)32(27,28)24-14-6-4-13(5-7-14)23-31(25,26)15-8-9-18-19(12-15)30-11-10-29-18/h1-3,8-9,12-14,23-24H,4-7,10-11H2
InChIKeySTNNXSAIRWJEPA-UHFFFAOYSA-N
XLogP2.30
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243730
N-[1-(2,6-difluorophenyl)sulfonyl-3-pyrrolidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243785
N-[2-(phenylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2897360
1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-4-((3-fluorophenyl)sulfonyl)piperazine
CID 2460181
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 25243710
1-(Benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243713
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 25243714
1-(2,4-Difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243715
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,4,5-trifluorophenyl)sulfonylpiperazine
CID 25243716
(2S)-4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243735
(2S)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243736

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 25243776) is N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is STNNXSAIRWJEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O6S2/c21-16-2-1-3-17(22)20(16)32(27,28)24-14-6-4-13(5-7-14)23-31(25,26)15-8-9-18-19(12-15)30-11-10-29-18/h1-3,8-9,12-14,23-24H,4-7,10-11H2.
What are the key properties of N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 488.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 25243776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).