N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C15H23N3O4S2 — CID 120707123

IUPACN-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23N3O4S2/c19-23(20,17-13-6-5-9-16-12-13)14-7-1-2-8-15(14)24(21,22)18-10-3-4-11-18/h1-2,7-8,13,16-17H,3-6,9-12H2
InChIKeyWQPRCUJGYSRKED-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.50
Rot. Bonds5

About N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 120707123) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID120707123
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC NameN-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23N3O4S2/c19-23(20,17-13-6-5-9-16-12-13)14-7-1-2-8-15(14)24(21,22)18-10-3-4-11-18/h1-2,7-8,13,16-17H,3-6,9-12H2
InChIKeyWQPRCUJGYSRKED-UHFFFAOYSA-N
XLogP0.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723641
N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707137
3-chloro-N-piperidin-3-ylpyridine-2-sulfonamide
CID 71639797
2-bromo-6-chloro-N-piperidin-3-ylbenzenesulfonamide
CID 120999547

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 120707123) is N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NC1CCCNC1)c1ccccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is WQPRCUJGYSRKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c19-23(20,17-13-6-5-9-16-12-13)14-7-1-2-8-15(14)24(21,22)18-10-3-4-11-18/h1-2,7-8,13,16-17H,3-6,9-12H2.
What are the key properties of N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 120707123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).