4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide

C17H20F2N2O3S2 — CID 131935000

IUPAC4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2cccs2)C1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N2O3S2/c18-17(19)24-14-5-7-16(8-6-14)26(22,23)20-13-3-1-9-21(11-13)12-15-4-2-10-25-15/h2,4-8,10,13,17,20H,1,3,9,11-12H2
InChIKeyLPLJKOSNUQDTRA-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.29
Rot. Bonds7

About 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide

4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 131935000) has the molecular formula C17H20F2N2O3S2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide
PubChem CID131935000
Molecular FormulaC17H20F2N2O3S2
Molecular Weight402.49 g/mol
Exact Mass402.09
IUPAC Name4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2cccs2)C1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N2O3S2/c18-17(19)24-14-5-7-16(8-6-14)26(22,23)20-13-3-1-9-21(11-13)12-15-4-2-10-25-15/h2,4-8,10,13,17,20H,1,3,9,11-12H2
InChIKeyLPLJKOSNUQDTRA-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]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-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
CID 131920401
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 131904796
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine-3-sulfonamide
CID 131922128
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide (CID 131935000) is 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CCCN(Cc2cccs2)C1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is LPLJKOSNUQDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3S2/c18-17(19)24-14-5-7-16(8-6-14)26(22,23)20-13-3-1-9-21(11-13)12-15-4-2-10-25-15/h2,4-8,10,13,17,20H,1,3,9,11-12H2.
What are the key properties of 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide?
4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 402.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 131935000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).