N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide

C16H26N2O4S2 — CID 110299316

IUPACN,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide
SMILESCC1CCN(S(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O4S2/c1-14-8-11-18(12-9-14)23(19,20)13-10-15-4-6-16(7-5-15)24(21,22)17(2)3/h4-7,14H,8-13H2,1-3H3
InChIKeyIRXGPVHJUSHPOH-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.54
Rot. Bonds6

About N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide

N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide (PubChem CID 110299316) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide
PubChem CID110299316
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide
SMILESCC1CCN(S(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O4S2/c1-14-8-11-18(12-9-14)23(19,20)13-10-15-4-6-16(7-5-15)24(21,22)17(2)3/h4-7,14H,8-13H2,1-3H3
InChIKeyIRXGPVHJUSHPOH-UHFFFAOYSA-N
XLogP1.54
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide 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-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
CID 142176904
1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
CID 90898405
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperidine
CID 28719601
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603726
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide (CID 110299316) is N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide is CC1CCN(S(=O)(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide?
The InChIKey is IRXGPVHJUSHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-14-8-11-18(12-9-14)23(19,20)13-10-15-4-6-16(7-5-15)24(21,22)17(2)3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide?
N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 110299316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).