5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide

C15H23N3O4S — CID 71877292

IUPAC5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2C)ccc1OC
InChIInChI=1S/C15H23N3O4S/c1-11-10-17(3)7-8-18(11)15(19)12-5-6-13(22-4)14(9-12)23(20,21)16-2/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyNUGCCGHUODOGDJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.38
Rot. Bonds4

About 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide

5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 71877292) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID71877292
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2C)ccc1OC
InChIInChI=1S/C15H23N3O4S/c1-11-10-17(3)7-8-18(11)15(19)12-5-6-13(22-4)14(9-12)23(20,21)16-2/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyNUGCCGHUODOGDJ-UHFFFAOYSA-N
XLogP0.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119472443
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094005
5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910845

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide (CID 71877292) is 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2C)ccc1OC.
What is the InChIKey of 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is NUGCCGHUODOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-10-17(3)7-8-18(11)15(19)12-5-6-13(22-4)14(9-12)23(20,21)16-2/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 71877292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).