N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide

C21H29N3O5S2 — CID 1168465

IUPACN-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-4-17(2)22-30(25,26)20-8-10-21(11-9-20)31(27,28)24-14-12-23(13-15-24)18-6-5-7-19(16-18)29-3/h5-11,16-17,22H,4,12-15H2,1-3H3/t17-/m1/s1
InChIKeyCFLAPVXFEFEQGK-QGZVFWFLSA-N
MW467.61 g/mol
LogP2.28
Rot. Bonds8

About N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide

N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 1168465) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
PubChem CID1168465
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC NameN-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-4-17(2)22-30(25,26)20-8-10-21(11-9-20)31(27,28)24-14-12-23(13-15-24)18-6-5-7-19(16-18)29-3/h5-11,16-17,22H,4,12-15H2,1-3H3/t17-/m1/s1
InChIKeyCFLAPVXFEFEQGK-QGZVFWFLSA-N
XLogP2.28
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide with MolForge

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Related Compounds

1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
N-[(2R)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168468
1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 46557463
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 58499800
6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 46283484
N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058919
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-ethyl-7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 53176101
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide (CID 1168465) is N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is CFLAPVXFEFEQGK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-4-17(2)22-30(25,26)20-8-10-21(11-9-20)31(27,28)24-14-12-23(13-15-24)18-6-5-7-19(16-18)29-3/h5-11,16-17,22H,4,12-15H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 467.61 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 1168465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).