6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

C15H20BrNO4S — CID 48944539

IUPAC6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H20BrNO4S/c1-2-17(11-5-3-4-6-11)22(18,19)15-10-14-13(9-12(15)16)20-7-8-21-14/h9-11H,2-8H2,1H3
InChIKeyFXKCVRCIMSXMTM-UHFFFAOYSA-N
MW390.30 g/mol
LogP3.17
Rot. Bonds4

About 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (PubChem CID 48944539) has the molecular formula C15H20BrNO4S and a molecular weight of 390.30 g/mol. Its IUPAC name is 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
PubChem CID48944539
Molecular FormulaC15H20BrNO4S
Molecular Weight390.30 g/mol
Exact Mass389.03
IUPAC Name6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H20BrNO4S/c1-2-17(11-5-3-4-6-11)22(18,19)15-10-14-13(9-12(15)16)20-7-8-21-14/h9-11H,2-8H2,1H3
InChIKeyFXKCVRCIMSXMTM-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-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

4-(2-Bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 45835976
2-Bromo-4,5-dimethoxy-1-[(4-methylpiperazinyl)sulfonyl]benzene
CID 1184066
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
CID 990999
1H-Pyrrole, 1-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl]-2,5-dihydro-
CID 12192976
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 102413535
1-(2-Bromo-4,5-dimethoxyphenyl)sulfonyl-3-methyl-2,5-dihydropyrrole
CID 129861366
2-bromo-N-[2-(2-fluorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 41814537
2-bromo-N-[3-(4-fluorophenoxy)propyl]-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 41814612
N-(3-amino-2,2-difluoropropyl)-6-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120404813
N-(3-amino-2,2-difluoropropyl)-6-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120404814
2-bromo-N-cyclopropyl-4,5-dimethoxy-N-pentan-3-ylbenzenesulfonamide
CID 45912512
6-bromo-N-cyclopentyl-N-cyclopropyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944499

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The IUPAC name of 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (CID 48944539) is 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.
What is the SMILES notation for 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The canonical SMILES for 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is CCN(C1CCCC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The InChIKey is FXKCVRCIMSXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4S/c1-2-17(11-5-3-4-6-11)22(18,19)15-10-14-13(9-12(15)16)20-7-8-21-14/h9-11H,2-8H2,1H3.
What are the key properties of 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide has a molecular weight of 390.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is sourced from PubChem (CID 48944539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).