3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide

C13H20N2O4S2 — CID 119964250

IUPAC3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCNC2)c1
InChIInChI=1S/C13H20N2O4S2/c1-2-20(16,17)12-6-3-7-13(9-12)21(18,19)15-11-5-4-8-14-10-11/h3,6-7,9,11,14-15H,2,4-5,8,10H2,1H3
InChIKeyHYLRFCFTUBHZJW-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.51
Rot. Bonds5

About 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide

3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 119964250) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID119964250
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCNC2)c1
InChIInChI=1S/C13H20N2O4S2/c1-2-20(16,17)12-6-3-7-13(9-12)21(18,19)15-11-5-4-8-14-10-11/h3,6-7,9,11,14-15H,2,4-5,8,10H2,1H3
InChIKeyHYLRFCFTUBHZJW-UHFFFAOYSA-N
XLogP0.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide (CID 119964250) is 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide is CCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCNC2)c1.
What is the InChIKey of 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is HYLRFCFTUBHZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-20(16,17)12-6-3-7-13(9-12)21(18,19)15-11-5-4-8-14-10-11/h3,6-7,9,11,14-15H,2,4-5,8,10H2,1H3.
What are the key properties of 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119964250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).