4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide

C12H19N3O4S2 — CID 655863

IUPAC4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H19N3O4S2/c1-13(2)21(18,19)15-10-8-14(9-11-15)20(16,17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyLPSVOXBPJPVJMU-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.20
Rot. Bonds4

About 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 655863) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID655863
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H19N3O4S2/c1-13(2)21(18,19)15-10-8-14(9-11-15)20(16,17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyLPSVOXBPJPVJMU-UHFFFAOYSA-N
XLogP-0.20
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-(Benzenesulfonyl)piperazine
CID 808712
1,4-Bis[(2,6-difluorophenyl)sulfonyl]piperazine
CID 25243724
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
N,N-Diethylbenzenesulfonamide
CID 74367
1-(Phenylsulfonyl)piperidine
CID 78733
1-(4-Fluorobenzenesulfonyl)piperazine
CID 2063342
n,n-Dibutylbenzenesulfonamide
CID 220596
2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
CID 668789
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 655863) is 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is LPSVOXBPJPVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-13(2)21(18,19)15-10-8-14(9-11-15)20(16,17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 655863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).