N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide

C15H25N3O5S2 — CID 120725841

IUPACN-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C15H25N3O5S2/c1-5-24(19,20)17-14-10-13(23-4)6-7-15(14)25(21,22)18-9-8-16-11(2)12(18)3/h6-7,10-12,16-17H,5,8-9H2,1-4H3
InChIKeyUIKZAHKQOWOHPQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.83
Rot. Bonds6

About N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide

N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide (PubChem CID 120725841) has the molecular formula C15H25N3O5S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide
PubChem CID120725841
Molecular FormulaC15H25N3O5S2
Molecular Weight391.52 g/mol
Exact Mass391.12
IUPAC NameN-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C15H25N3O5S2/c1-5-24(19,20)17-14-10-13(23-4)6-7-15(14)25(21,22)18-9-8-16-11(2)12(18)3/h6-7,10-12,16-17H,5,8-9H2,1-4H3
InChIKeyUIKZAHKQOWOHPQ-UHFFFAOYSA-N
XLogP0.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726627
methyl 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methylbenzoate
CID 120725425
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725803
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725545
methyl 3-chloro-4-(2,3-dimethylpiperazin-1-yl)sulfonylbenzoate
CID 120726046
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
1-(4-bromo-5-fluoro-2-methoxyphenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120726122
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
4-[2-(difluoromethylsulfonylamino)-4-methoxyphenyl]sulfonyl-N-ethylpiperazine-1-carboxamide
CID 166326235

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide?
The IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide (CID 120725841) is N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCNC(C)C1C.
What is the InChIKey of N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide?
The InChIKey is UIKZAHKQOWOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2/c1-5-24(19,20)17-14-10-13(23-4)6-7-15(14)25(21,22)18-9-8-16-11(2)12(18)3/h6-7,10-12,16-17H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide?
N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide is sourced from PubChem (CID 120725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).