5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide

C15H23N3O3S — CID 97067605

IUPAC5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C
InChIInChI=1S/C15H23N3O3S/c1-10-7-11(2)14(22(16,20)21)8-13(10)15(19)18-6-5-17(4)9-12(18)3/h7-8,12H,5-6,9H2,1-4H3,(H2,16,20,21)/t12-/m0/s1
InChIKeyXQHUBIKTSAQBOR-LBPRGKRZSA-N
MW325.43 g/mol
LogP0.73
Rot. Bonds2

About 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide

5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 97067605) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
PubChem CID97067605
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C
InChIInChI=1S/C15H23N3O3S/c1-10-7-11(2)14(22(16,20)21)8-13(10)15(19)18-6-5-17(4)9-12(18)3/h7-8,12H,5-6,9H2,1-4H3,(H2,16,20,21)/t12-/m0/s1
InChIKeyXQHUBIKTSAQBOR-LBPRGKRZSA-N
XLogP0.73
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
CID 146329900
5-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 96513249
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
CID 51127734
[2-bromo-5-(trifluoromethyl)phenyl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 103816640
(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094005
(4-bromo-3-methylphenyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086848

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide (CID 97067605) is 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C.
What is the InChIKey of 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is XQHUBIKTSAQBOR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-7-11(2)14(22(16,20)21)8-13(10)15(19)18-6-5-17(4)9-12(18)3/h7-8,12H,5-6,9H2,1-4H3,(H2,16,20,21)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide?
5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 97067605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).