4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide

C14H22N2O4S2 — CID 110714982

IUPAC4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-3-12-4-6-14(7-5-12)22(19,20)15-13-8-10-16(11-9-13)21(2,17)18/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyUGLQIWDHUHOJJO-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.95
Rot. Bonds5

About 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide

4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide (PubChem CID 110714982) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
PubChem CID110714982
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-3-12-4-6-14(7-5-12)22(19,20)15-13-8-10-16(11-9-13)21(2,17)18/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyUGLQIWDHUHOJJO-UHFFFAOYSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108566980
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide (CID 110714982) is 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is UGLQIWDHUHOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-12-4-6-14(7-5-12)22(19,20)15-13-8-10-16(11-9-13)21(2,17)18/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 346.47 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110714982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).