N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide

C25H29N3O4S2 — CID 4842592

IUPACN-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-21-12-14-24(15-13-21)34(31,32)28-18-16-27(17-19-28)25(22-8-4-2-5-9-22)20-26-33(29,30)23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3
InChIKeyNRIXOZZPTDYYHH-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.02
Rot. Bonds8

About N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide

N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide (PubChem CID 4842592) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
PubChem CID4842592
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC NameN-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-21-12-14-24(15-13-21)34(31,32)28-18-16-27(17-19-28)25(22-8-4-2-5-9-22)20-26-33(29,30)23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3
InChIKeyNRIXOZZPTDYYHH-UHFFFAOYSA-N
XLogP3.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
CID 1103089
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 47068814
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[(2S)-2-[4-(2-cyanoethyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 2261107
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4830143
N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631191
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55682115

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide (CID 4842592) is N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N2CCN(C(CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The InChIKey is NRIXOZZPTDYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-21-12-14-24(15-13-21)34(31,32)28-18-16-27(17-19-28)25(22-8-4-2-5-9-22)20-26-33(29,30)23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3.
What are the key properties of N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide has a molecular weight of 499.66 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 4842592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).