4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride

C14H24ClN3O4S2 — CID 120876566

IUPAC4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(C)C2C)cc1C.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-10-9-13(5-6-14(10)22(18,19)15-4)23(20,21)17-8-7-16-11(2)12(17)3;/h5-6,9,11-12,15-16H,7-8H2,1-4H3;1H
InChIKeyWLOLFDQWZNVGAP-UHFFFAOYSA-N
MW397.95 g/mol
LogP0.70
Rot. Bonds4

About 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride

4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120876566) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120876566
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC Name4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(C)C2C)cc1C.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-10-9-13(5-6-14(10)22(18,19)15-4)23(20,21)17-8-7-16-11(2)12(17)3;/h5-6,9,11-12,15-16H,7-8H2,1-4H3;1H
InChIKeyWLOLFDQWZNVGAP-UHFFFAOYSA-N
XLogP0.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725829
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
N,2-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 120999310
1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725927
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120999652
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120875001
1-(3-bromo-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725624
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(3-methoxy-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725790

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride (CID 120876566) is 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(C)C2C)cc1C.Cl.
What is the InChIKey of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is WLOLFDQWZNVGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c1-10-9-13(5-6-14(10)22(18,19)15-4)23(20,21)17-8-7-16-11(2)12(17)3;/h5-6,9,11-12,15-16H,7-8H2,1-4H3;1H.
What are the key properties of 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride?
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120876566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).