4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C15H21FN2O3S — CID 112995681

IUPAC4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(=O)N2CCCC(C)C2)ccc1F
InChIInChI=1S/C15H21FN2O3S/c1-11-4-3-7-18(10-11)15(19)9-17-22(20,21)13-5-6-14(16)12(2)8-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyIJRPPRZCCNQSBX-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.67
Rot. Bonds4

About 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 112995681) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID112995681
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(=O)N2CCCC(C)C2)ccc1F
InChIInChI=1S/C15H21FN2O3S/c1-11-4-3-7-18(10-11)15(19)9-17-22(20,21)13-5-6-14(16)12(2)8-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyIJRPPRZCCNQSBX-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]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

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
CID 146122653
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 2346750
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
4-fluoro-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 112771520
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 112995681) is 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(=O)N2CCCC(C)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is IJRPPRZCCNQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-11-4-3-7-18(10-11)15(19)9-17-22(20,21)13-5-6-14(16)12(2)8-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 112995681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).