N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide

C23H23N3O5S2 — CID 5295909

IUPACN-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C23H23N3O5S2/c27-23(19-8-3-1-4-9-19)25-14-16-26(17-15-25)33(30,31)22-13-7-10-20(18-22)24-32(28,29)21-11-5-2-6-12-21/h1-13,18,24H,14-17H2
InChIKeySHPSSEOIZOTJJR-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.63
Rot. Bonds6

About N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide

N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 5295909) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID5295909
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC NameN-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C23H23N3O5S2/c27-23(19-8-3-1-4-9-19)25-14-16-26(17-15-25)33(30,31)22-13-7-10-20(18-22)24-32(28,29)21-11-5-2-6-12-21/h1-13,18,24H,14-17H2
InChIKeySHPSSEOIZOTJJR-UHFFFAOYSA-N
XLogP2.63
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 4921124
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109064404
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 5295909) is N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide is O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.
What is the InChIKey of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is SHPSSEOIZOTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c27-23(19-8-3-1-4-9-19)25-14-16-26(17-15-25)33(30,31)22-13-7-10-20(18-22)24-32(28,29)21-11-5-2-6-12-21/h1-13,18,24H,14-17H2.
What are the key properties of N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide?
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 485.59 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 5295909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).