N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C14H19NO5S — CID 52992783

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C14H19NO5S/c1-14(16,10-2-3-10)9-15-21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8,10,15-16H,2-3,6-7,9H2,1H3
InChIKeyOZYCRXSVMAUVAE-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.90
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 52992783) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID52992783
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C14H19NO5S/c1-14(16,10-2-3-10)9-15-21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8,10,15-16H,2-3,6-7,9H2,1H3
InChIKeyOZYCRXSVMAUVAE-UHFFFAOYSA-N
XLogP0.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2898394
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CID 2889243
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CID 4877104
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CID 650843
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CID 768987
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CID 2956859
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CID 2929767
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CID 4796846
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CID 37557650
CID 37557650

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 52992783) is N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(O)(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OZYCRXSVMAUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-14(16,10-2-3-10)9-15-21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8,10,15-16H,2-3,6-7,9H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 52992783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).