N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide

C23H27N3O5S — CID 55330146

IUPACN-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C23H27N3O5S/c1-24(19-8-3-2-4-9-19)32(29,30)20-10-5-7-18(17-20)22(27)25-12-14-26(15-13-25)23(28)21-11-6-16-31-21/h2-5,7-10,17,21H,6,11-16H2,1H3
InChIKeyGMZJQQJPHZPOHP-UHFFFAOYSA-N
MW457.55 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide

N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide (PubChem CID 55330146) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
PubChem CID55330146
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C23H27N3O5S/c1-24(19-8-3-2-4-9-19)32(29,30)20-10-5-7-18(17-20)22(27)25-12-14-26(15-13-25)23(28)21-11-6-16-31-21/h2-5,7-10,17,21H,6,11-16H2,1H3
InChIKeyGMZJQQJPHZPOHP-UHFFFAOYSA-N
XLogP1.98
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55330190
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
[4-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330142
N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71909879
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
4-chloro-N-ethyl-3-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 25351084
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
N,N-diethyl-2-[4-[3-[methyl(phenyl)sulfamoyl]benzoyl]-1,4-diazepan-1-yl]acetamide
CID 55631894
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide (CID 55330146) is N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)c1.
What is the InChIKey of N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The InChIKey is GMZJQQJPHZPOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-24(19-8-3-2-4-9-19)32(29,30)20-10-5-7-18(17-20)22(27)25-12-14-26(15-13-25)23(28)21-11-6-16-31-21/h2-5,7-10,17,21H,6,11-16H2,1H3.
What are the key properties of N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide has a molecular weight of 457.55 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 55330146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).