4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide

C24H23N3O4S — CID 110088305

IUPAC4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2Cc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O4S/c25-32(30,31)21-11-9-19(10-12-21)24(29)27-14-13-26-23(28)22(27)16-17-5-4-8-20(15-17)18-6-2-1-3-7-18/h1-12,15,22H,13-14,16H2,(H,26,28)(H2,25,30,31)
InChIKeyCKCHCJKXHLQQRO-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.18
Rot. Bonds5

About 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide

4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 110088305) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID110088305
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2Cc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O4S/c25-32(30,31)21-11-9-19(10-12-21)24(29)27-14-13-26-23(28)22(27)16-17-5-4-8-20(15-17)18-6-2-1-3-7-18/h1-12,15,22H,13-14,16H2,(H,26,28)(H2,25,30,31)
InChIKeyCKCHCJKXHLQQRO-UHFFFAOYSA-N
XLogP2.18
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methoxyethoxy)benzoyl]-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110250535
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125021051
butyl 2-[(2S)-3-oxo-1-(4-phenylbenzoyl)piperazin-2-yl]acetate
CID 9298063
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(3,5-dimethyl-1-benzofuran-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250472
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
3-benzyl-4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-2-one
CID 45229030
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
(3S)-1-prop-2-enyl-4-(pyridine-4-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 124981099
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008

Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide (CID 110088305) is 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2Cc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is CKCHCJKXHLQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c25-32(30,31)21-11-9-19(10-12-21)24(29)27-14-13-26-23(28)22(27)16-17-5-4-8-20(15-17)18-6-2-1-3-7-18/h1-12,15,22H,13-14,16H2,(H,26,28)(H2,25,30,31).
What are the key properties of 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide?
4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 110088305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).