4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide

C19H24N4O3S — CID 119843910

IUPAC4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
SMILESNC(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H24N4O3S/c20-18(14-15-4-2-1-3-5-15)19(24)23-12-10-22(11-13-23)16-6-8-17(9-7-16)27(21,25)26/h1-9,18H,10-14,20H2,(H2,21,25,26)
InChIKeyRZXLQNREJLKCKM-UHFFFAOYSA-N
MW388.49 g/mol
LogP0.55
Rot. Bonds5

About 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide

4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 119843910) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
PubChem CID119843910
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
SMILESNC(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H24N4O3S/c20-18(14-15-4-2-1-3-5-15)19(24)23-12-10-22(11-13-23)16-6-8-17(9-7-16)27(21,25)26/h1-9,18H,10-14,20H2,(H2,21,25,26)
InChIKeyRZXLQNREJLKCKM-UHFFFAOYSA-N
XLogP0.55
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909
(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119858335
5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91828791
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide (CID 119843910) is 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide is NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is RZXLQNREJLKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-18(14-15-4-2-1-3-5-15)19(24)23-12-10-22(11-13-23)16-6-8-17(9-7-16)27(21,25)26/h1-9,18H,10-14,20H2,(H2,21,25,26).
What are the key properties of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 119843910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).