N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide

C20H33N3O4S2 — CID 24793403

IUPACN,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H33N3O4S2/c1-3-22(4-2)28(24,25)19-8-10-20(11-9-19)29(26,27)23-16-12-18(13-17-23)21-14-6-5-7-15-21/h8-11,18H,3-7,12-17H2,1-2H3
InChIKeyASODOHHSUUHRIJ-UHFFFAOYSA-N
MW443.64 g/mol
LogP2.36
Rot. Bonds7

About N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide

N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 24793403) has the molecular formula C20H33N3O4S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID24793403
Molecular FormulaC20H33N3O4S2
Molecular Weight443.64 g/mol
Exact Mass443.19
IUPAC NameN,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H33N3O4S2/c1-3-22(4-2)28(24,25)19-8-10-20(11-9-19)29(26,27)23-16-12-18(13-17-23)21-14-6-5-7-15-21/h8-11,18H,3-7,12-17H2,1-2H3
InChIKeyASODOHHSUUHRIJ-UHFFFAOYSA-N
XLogP2.36
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 24793403) is N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is ASODOHHSUUHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S2/c1-3-22(4-2)28(24,25)19-8-10-20(11-9-19)29(26,27)23-16-12-18(13-17-23)21-14-6-5-7-15-21/h8-11,18H,3-7,12-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide?
N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 443.64 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 24793403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).