4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide

C23H34N4O4S2 — CID 90200670

IUPAC4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C23H34N4O4S2/c1-20(2)18-27(19-21-8-6-5-7-9-21)32(28,29)23-12-10-22(11-13-23)25-14-16-26(17-15-25)33(30,31)24(3)4/h5-13,20H,14-19H2,1-4H3
InChIKeyHNHAYVBPBBPKQJ-UHFFFAOYSA-N
MW494.68 g/mol
LogP2.46
Rot. Bonds9

About 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 90200670) has the molecular formula C23H34N4O4S2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID90200670
Molecular FormulaC23H34N4O4S2
Molecular Weight494.68 g/mol
Exact Mass494.20
IUPAC Name4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C23H34N4O4S2/c1-20(2)18-27(19-21-8-6-5-7-9-21)32(28,29)23-12-10-22(11-13-23)25-14-16-26(17-15-25)33(30,31)24(3)4/h5-13,20H,14-19H2,1-4H3
InChIKeyHNHAYVBPBBPKQJ-UHFFFAOYSA-N
XLogP2.46
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Tert-butylbenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 1041738
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperazine
CID 45380179
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
Asm-024
CID 117587641
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
4-((4-Benzylpiperidin-1-yl)sulfonyl)aniline
CID 2115228
4-[(2E)-3-phenylprop-2-en-1-yl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1213452
1-(4-Tert-butylbenzenesulfonyl)-4-(2-fluorophenyl)piperazine
CID 1277351
Arylsulfonylpiperazine, 29
CID 19684374
Arylsulfonylpiperazine, 35
CID 44237030

Frequently Asked Questions

What is the IUPAC name of 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 90200670) is 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide is CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is HNHAYVBPBBPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S2/c1-20(2)18-27(19-21-8-6-5-7-9-21)32(28,29)23-12-10-22(11-13-23)25-14-16-26(17-15-25)33(30,31)24(3)4/h5-13,20H,14-19H2,1-4H3.
What are the key properties of 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 494.68 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[benzyl(2-methylpropyl)sulfamoyl]phenyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 90200670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).