N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide

C22H30N2O4S2 — CID 3226867

IUPACN-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C22H30N2O4S2/c1-4-23(17-20-11-6-5-7-12-20)29(25,26)21-13-15-22(16-14-21)30(27,28)24-18(2)9-8-10-19(24)3/h5-7,11-16,18-19H,4,8-10,17H2,1-3H3
InChIKeyBRVWAJVUJNCOAL-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.85
Rot. Bonds7

About N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide

N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide (PubChem CID 3226867) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
PubChem CID3226867
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC NameN-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C22H30N2O4S2/c1-4-23(17-20-11-6-5-7-12-20)29(25,26)21-13-15-22(16-14-21)30(27,28)24-18(2)9-8-10-19(24)3/h5-7,11-16,18-19H,4,8-10,17H2,1-3H3
InChIKeyBRVWAJVUJNCOAL-UHFFFAOYSA-N
XLogP3.85
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
1-N-benzyl-4-N-cyclopentyl-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 3189960
N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 6551567
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide (CID 3226867) is N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide?
The InChIKey is BRVWAJVUJNCOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-4-23(17-20-11-6-5-7-12-20)29(25,26)21-13-15-22(16-14-21)30(27,28)24-18(2)9-8-10-19(24)3/h5-7,11-16,18-19H,4,8-10,17H2,1-3H3.
What are the key properties of N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide?
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide has a molecular weight of 450.63 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 3226867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).