4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C21H28N2O2S — CID 16887580

IUPAC4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-17(2)23-14-12-18(13-15-23)16-22-26(24,25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3
InChIKeyYEBHVLQGXOSRAG-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.75
Rot. Bonds6

About 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887580) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887580
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-17(2)23-14-12-18(13-15-23)16-22-26(24,25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3
InChIKeyYEBHVLQGXOSRAG-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887533
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16887535
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887576
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887580) is 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is YEBHVLQGXOSRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-17(2)23-14-12-18(13-15-23)16-22-26(24,25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3.
What are the key properties of 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).