N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide

C23H31N3O5S2 — CID 24549133

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-3-25(4-2)32(28,29)21-12-8-19(9-13-21)18-24-23(27)20-10-14-22(15-11-20)33(30,31)26-16-6-5-7-17-26/h8-15H,3-7,16-18H2,1-2H3,(H,24,27)
InChIKeyQIOBQFOVAAFGKJ-UHFFFAOYSA-N
MW493.65 g/mol
LogP2.82
Rot. Bonds9

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 24549133) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID24549133
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-3-25(4-2)32(28,29)21-12-8-19(9-13-21)18-24-23(27)20-10-14-22(15-11-20)33(30,31)26-16-6-5-7-17-26/h8-15H,3-7,16-18H2,1-2H3,(H,24,27)
InChIKeyQIOBQFOVAAFGKJ-UHFFFAOYSA-N
XLogP2.82
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
4-(5-methylpyrazol-1-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18209836
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
CID 29195584
3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17485125

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 24549133) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QIOBQFOVAAFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-3-25(4-2)32(28,29)21-12-8-19(9-13-21)18-24-23(27)20-10-14-22(15-11-20)33(30,31)26-16-6-5-7-17-26/h8-15H,3-7,16-18H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 493.65 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24549133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).