4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide

C14H23N3O2S — CID 742913

IUPAC4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1cccc(N2CCN(S(=O)(=O)N(C)C)CC2)c1C
InChIInChI=1S/C14H23N3O2S/c1-12-6-5-7-14(13(12)2)16-8-10-17(11-9-16)20(18,19)15(3)4/h5-7H,8-11H2,1-4H3
InChIKeyOFLCNZDZICIJOT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.23
Rot. Bonds3

About 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 742913) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID742913
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1cccc(N2CCN(S(=O)(=O)N(C)C)CC2)c1C
InChIInChI=1S/C14H23N3O2S/c1-12-6-5-7-14(13(12)2)16-8-10-17(11-9-16)20(18,19)15(3)4/h5-7H,8-11H2,1-4H3
InChIKeyOFLCNZDZICIJOT-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(2,3-dimethylphenyl)-4-(3-methylbutylsulfonyl)piperazine
CID 56549598
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 110865706
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3436716
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 27159090
1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
CID 113029435
1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958601

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 742913) is 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide is Cc1cccc(N2CCN(S(=O)(=O)N(C)C)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is OFLCNZDZICIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-6-5-7-14(13(12)2)16-8-10-17(11-9-16)20(18,19)15(3)4/h5-7H,8-11H2,1-4H3.
What are the key properties of 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 742913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).