N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide

C15H24N2O4S2 — CID 3214671

IUPACN,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H24N2O4S2/c1-3-16(4-2)22(18,19)14-9-8-10-15(13-14)23(20,21)17-11-6-5-7-12-17/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyOONPTGBPFCWDOV-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.89
Rot. Bonds6

About N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide

N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 3214671) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID3214671
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H24N2O4S2/c1-3-16(4-2)22(18,19)14-9-8-10-15(13-14)23(20,21)17-11-6-5-7-12-17/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyOONPTGBPFCWDOV-UHFFFAOYSA-N
XLogP1.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide (CID 3214671) is N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is OONPTGBPFCWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-16(4-2)22(18,19)14-9-8-10-15(13-14)23(20,21)17-11-6-5-7-12-17/h8-10,13H,3-7,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide?
N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 3214671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).