N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide

C14H20N2O4S — CID 43093846

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCCO2)C1CCCNC1
InChIInChI=1S/C14H20N2O4S/c17-21(18,12-3-1-6-15-10-12)16-11-4-5-13-14(9-11)20-8-2-7-19-13/h4-5,9,12,15-16H,1-3,6-8,10H2
InChIKeyBIWACKRYYBTMGV-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.34
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide (PubChem CID 43093846) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide
PubChem CID43093846
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCCO2)C1CCCNC1
InChIInChI=1S/C14H20N2O4S/c17-21(18,12-3-1-6-15-10-12)16-11-4-5-13-14(9-11)20-8-2-7-19-13/h4-5,9,12,15-16H,1-3,6-8,10H2
InChIKeyBIWACKRYYBTMGV-UHFFFAOYSA-N
XLogP1.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide
CID 24709184
N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide
CID 43107627
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
CID 112739564
7-(dimethylsulfamoylamino)-3,4-dihydro-2H-1,5-benzodioxepine
CID 110776719
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
N-naphthalen-2-ylpyrrolidine-3-sulfonamide
CID 65420043
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide
CID 105360587

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide (CID 43093846) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCCO2)C1CCCNC1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide?
The InChIKey is BIWACKRYYBTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-21(18,12-3-1-6-15-10-12)16-11-4-5-13-14(9-11)20-8-2-7-19-13/h4-5,9,12,15-16H,1-3,6-8,10H2.
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 43093846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).