4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide

C13H20N2O5S2 — CID 71364075

IUPAC4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H20N2O5S2/c1-2-20-11-7-9-15(10-8-11)22(18,19)13-5-3-12(4-6-13)21(14,16)17/h3-6,11H,2,7-10H2,1H3,(H2,14,16,17)
InChIKeyDNFQQGGKIWBDGS-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.52
Rot. Bonds5

About 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide

4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 71364075) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID71364075
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC Name4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H20N2O5S2/c1-2-20-11-7-9-15(10-8-11)22(18,19)13-5-3-12(4-6-13)21(14,16)17/h3-6,11H,2,7-10H2,1H3,(H2,14,16,17)
InChIKeyDNFQQGGKIWBDGS-UHFFFAOYSA-N
XLogP0.52
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
2-Chloro-4-(4-methoxypiperidinosulphonyl)benzene sulphonamide
CID 15942825
N-Butyl-4-(1,4-dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-benzenesulfonamide
CID 3221375
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
N-[1,4]Dioxan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzenesulfonamide
CID 647454
N-(2-Cyano-ethyl)-N-(3-ethoxy-propyl)-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 652961
N-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2439660
8-(Methylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384395

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide (CID 71364075) is 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide is CCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is DNFQQGGKIWBDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-2-20-11-7-9-15(10-8-11)22(18,19)13-5-3-12(4-6-13)21(14,16)17/h3-6,11H,2,7-10H2,1H3,(H2,14,16,17).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 71364075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).