N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C22H27N3O3S — CID 7550938

IUPACN-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3S/c26-22(23-20-8-2-3-9-21(20)24-14-4-1-5-15-24)18-10-12-19(13-11-18)29(27,28)25-16-6-7-17-25/h2-3,8-13H,1,4-7,14-17H2,(H,23,26)
InChIKeyVVKQWNNCLICYCG-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.71
Rot. Bonds5

About N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 7550938) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID7550938
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3S/c26-22(23-20-8-2-3-9-21(20)24-14-4-1-5-15-24)18-10-12-19(13-11-18)29(27,28)25-16-6-7-17-25/h2-3,8-13H,1,4-7,14-17H2,(H,23,26)
InChIKeyVVKQWNNCLICYCG-UHFFFAOYSA-N
XLogP3.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 33314849

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 7550938) is N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1N1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VVKQWNNCLICYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-22(23-20-8-2-3-9-21(20)24-14-4-1-5-15-24)18-10-12-19(13-11-18)29(27,28)25-16-6-7-17-25/h2-3,8-13H,1,4-7,14-17H2,(H,23,26).
What are the key properties of N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 413.54 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7550938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).