3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide

C11H17N3O4S2 — CID 104975055

IUPAC3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1
InChIInChI=1S/C11H17N3O4S2/c1-9-8-14(6-5-13-9)20(17,18)11-4-2-3-10(7-11)19(12,15)16/h2-4,7,9,13H,5-6,8H2,1H3,(H2,12,15,16)/t9-/m1/s1
InChIKeyHSRONPGNFGGYLF-SECBINFHSA-N
MW319.41 g/mol
LogP-0.68
Rot. Bonds3

About 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide

3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 104975055) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
PubChem CID104975055
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1
InChIInChI=1S/C11H17N3O4S2/c1-9-8-14(6-5-13-9)20(17,18)11-4-2-3-10(7-11)19(12,15)16/h2-4,7,9,13H,5-6,8H2,1H3,(H2,12,15,16)/t9-/m1/s1
InChIKeyHSRONPGNFGGYLF-SECBINFHSA-N
XLogP-0.68
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
(3S)-3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 104976476
(3S)-3-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 104976600
3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine;hydrochloride
CID 119982212
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide (CID 104975055) is 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide is C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1.
What is the InChIKey of 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is HSRONPGNFGGYLF-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-9-8-14(6-5-13-9)20(17,18)11-4-2-3-10(7-11)19(12,15)16/h2-4,7,9,13H,5-6,8H2,1H3,(H2,12,15,16)/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide?
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 104975055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).