2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide

C24H26N2O4S2 — CID 52565659

IUPAC2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H26N2O4S2/c27-31(28,24-12-6-5-11-23(24)21-9-3-1-4-10-21)25-19-20-13-15-22(16-14-20)32(29,30)26-17-7-2-8-18-26/h1,3-6,9-16,25H,2,7-8,17-19H2
InChIKeyUJBIPYNHMNFOBX-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.01
Rot. Bonds7

About 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide

2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide (PubChem CID 52565659) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
PubChem CID52565659
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H26N2O4S2/c27-31(28,24-12-6-5-11-23(24)21-9-3-1-4-10-21)25-19-20-13-15-22(16-14-20)32(29,30)26-17-7-2-8-18-26/h1,3-6,9-16,25H,2,7-8,17-19H2
InChIKeyUJBIPYNHMNFOBX-UHFFFAOYSA-N
XLogP4.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
1-(benzenesulfonyl)-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 166194214
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
1-benzyl-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 110953045
2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906378
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 55542982
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide (CID 52565659) is 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
The InChIKey is UJBIPYNHMNFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c27-31(28,24-12-6-5-11-23(24)21-9-3-1-4-10-21)25-19-20-13-15-22(16-14-20)32(29,30)26-17-7-2-8-18-26/h1,3-6,9-16,25H,2,7-8,17-19H2.
What are the key properties of 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide has a molecular weight of 470.62 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 52565659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).