N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

C24H27NO4S — CID 16575072

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1=Cc2ccccc2CC1
InChIInChI=1S/C24H27NO4S/c26-30(27,21-9-7-18-5-1-2-6-19(18)15-21)25-17-24(11-3-4-12-24)20-8-10-22-23(16-20)29-14-13-28-22/h1-2,5-6,8,10,15-16,25H,3-4,7,9,11-14,17H2
InChIKeyDZYQVLIBESUKDH-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.18
Rot. Bonds5

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 16575072) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID16575072
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1=Cc2ccccc2CC1
InChIInChI=1S/C24H27NO4S/c26-30(27,21-9-7-18-5-1-2-6-19(18)15-21)25-17-24(11-3-4-12-24)20-8-10-22-23(16-20)29-14-13-28-22/h1-2,5-6,8,10,15-16,25H,3-4,7,9,11-14,17H2
InChIKeyDZYQVLIBESUKDH-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 16575072) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is O=S(=O)(NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is DZYQVLIBESUKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4S/c26-30(27,21-9-7-18-5-1-2-6-19(18)15-21)25-17-24(11-3-4-12-24)20-8-10-22-23(16-20)29-14-13-28-22/h1-2,5-6,8,10,15-16,25H,3-4,7,9,11-14,17H2.
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 16575072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).