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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Related Compounds

CID 1370
CID 1370
CID 22831877
CID 22831877
CID 669595
CID 669595
CID 669586
CID 669586
CID 669592
CID 669592
CID 201764
CID 201764
CID 785832
CID 785832
CID 198798
CID 198798
CID 669334
CID 669334
CID 673374
CID 673374
CID 2242064
CID 2242064
CID 2813904
CID 2813904

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).