4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide

C19H25N3O2S — CID 1103089

IUPAC4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-16-7-9-18(10-8-16)25(23,24)21-15-19(17-5-3-2-4-6-17)22-13-11-20-12-14-22/h2-10,19-21H,11-15H2,1H3/t19-/m0/s1
InChIKeyLMVAHJISZFRJCY-IBGZPJMESA-N
MW359.50 g/mol
LogP1.92
Rot. Bonds6

About 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide

4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide (PubChem CID 1103089) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
PubChem CID1103089
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-16-7-9-18(10-8-16)25(23,24)21-15-19(17-5-3-2-4-6-17)22-13-11-20-12-14-22/h2-10,19-21H,11-15H2,1H3/t19-/m0/s1
InChIKeyLMVAHJISZFRJCY-IBGZPJMESA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
N-[(2S)-2-[4-(2-cyanoethyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 2261107
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631191
N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide (CID 1103089) is 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide?
The InChIKey is LMVAHJISZFRJCY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-16-7-9-18(10-8-16)25(23,24)21-15-19(17-5-3-2-4-6-17)22-13-11-20-12-14-22/h2-10,19-21H,11-15H2,1H3/t19-/m0/s1.
What are the key properties of 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide?
4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 1103089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).