4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

C15H23N3O4S — CID 95750555

IUPAC4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@H](O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23N3O4S/c1-12(19)11-17-6-8-18(9-7-17)15(20)10-13-2-4-14(5-3-13)23(16,21)22/h2-5,12,19H,6-11H2,1H3,(H2,16,21,22)/t12-/m0/s1
InChIKeyLDXAETCWEAWOTF-LBPRGKRZSA-N
MW341.43 g/mol
LogP-0.60
Rot. Bonds5

About 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 95750555) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID95750555
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@H](O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23N3O4S/c1-12(19)11-17-6-8-18(9-7-17)15(20)10-13-2-4-14(5-3-13)23(16,21)22/h2-5,12,19H,6-11H2,1H3,(H2,16,21,22)/t12-/m0/s1
InChIKeyLDXAETCWEAWOTF-LBPRGKRZSA-N
XLogP-0.60
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 136581014
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
4-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 113074464
(2S)-1-[4-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 159707663
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95332327
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
2-(4-aminophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60964119
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 95750555) is 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is C[C@H](O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is LDXAETCWEAWOTF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12(19)11-17-6-8-18(9-7-17)15(20)10-13-2-4-14(5-3-13)23(16,21)22/h2-5,12,19H,6-11H2,1H3,(H2,16,21,22)/t12-/m0/s1.
What are the key properties of 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 95750555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).