N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H21NO4S — CID 2929767

IUPACN-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4S/c17-21(18,16-12-5-3-1-2-4-6-12)13-7-8-14-15(11-13)20-10-9-19-14/h7-8,11-12,16H,1-6,9-10H2
InChIKeyXIXFEMSEPANECW-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.46
Rot. Bonds3

About N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2929767) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2929767
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4S/c17-21(18,16-12-5-3-1-2-4-6-12)13-7-8-14-15(11-13)20-10-9-19-14/h7-8,11-12,16H,1-6,9-10H2
InChIKeyXIXFEMSEPANECW-UHFFFAOYSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2929767) is N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CCCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is XIXFEMSEPANECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-21(18,16-12-5-3-1-2-4-6-12)13-7-8-14-15(11-13)20-10-9-19-14/h7-8,11-12,16H,1-6,9-10H2.
What are the key properties of N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2929767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).