4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

C14H19N3O5S — CID 6493503

IUPAC4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19N3O5S/c1-15(2)23(19,20)17-7-5-16(6-8-17)14(18)11-3-4-12-13(9-11)22-10-21-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyOYNUVYCHLHBYHC-UHFFFAOYSA-N
MW341.39 g/mol
LogP-0.02
Rot. Bonds3

About 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 6493503) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID6493503
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19N3O5S/c1-15(2)23(19,20)17-7-5-16(6-8-17)14(18)11-3-4-12-13(9-11)22-10-21-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyOYNUVYCHLHBYHC-UHFFFAOYSA-N
XLogP-0.02
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 6493503) is 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is OYNUVYCHLHBYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-15(2)23(19,20)17-7-5-16(6-8-17)14(18)11-3-4-12-13(9-11)22-10-21-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 341.39 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 6493503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).