4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

C13H19N3O5S — CID 108570154

IUPAC4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H19N3O5S/c1-14(2)22(20,21)16-5-3-15(4-6-16)13(19)10-7-11(17)9-12(18)8-10/h7-9,17-18H,3-6H2,1-2H3
InChIKeyBHVOGXAFYWMWLJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP-0.34
Rot. Bonds3

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

4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 108570154) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID108570154
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H19N3O5S/c1-14(2)22(20,21)16-5-3-15(4-6-16)13(19)10-7-11(17)9-12(18)8-10/h7-9,17-18H,3-6H2,1-2H3
InChIKeyBHVOGXAFYWMWLJ-UHFFFAOYSA-N
XLogP-0.34
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 78948394
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
CID 110810347
4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805088
4-(3-bromo-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32500986
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086
N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide
CID 60949795
4-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810353

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 108570154) is 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is BHVOGXAFYWMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-14(2)22(20,21)16-5-3-15(4-6-16)13(19)10-7-11(17)9-12(18)8-10/h7-9,17-18H,3-6H2,1-2H3.
What are the key properties of 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 108570154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).