N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

C25H29N3O3S — CID 90656672

IUPACN-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1
InChIInChI=1S/C25H29N3O3S/c29-24-12-7-11-23(21-24)28(32(30,31)25-13-5-2-6-14-25)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2
InChIKeyKHYNYEMJCKAURZ-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.80
Rot. Bonds8

About N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 90656672) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID90656672
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1
InChIInChI=1S/C25H29N3O3S/c29-24-12-7-11-23(21-24)28(32(30,31)25-13-5-2-6-14-25)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2
InChIKeyKHYNYEMJCKAURZ-UHFFFAOYSA-N
XLogP3.80
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
CID 90656671
3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
CID 90656670
4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
CID 53237216
N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide
CID 22137393
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 6615862
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 46319302
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 67800410
N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 1134605
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
CID 90656676

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide (CID 90656672) is N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCN1CCN(c2ccccc2)CC1)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is KHYNYEMJCKAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c29-24-12-7-11-23(21-24)28(32(30,31)25-13-5-2-6-14-25)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2.
What are the key properties of N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide?
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 90656672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).