N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

C19H20F2N2O3S2 — CID 26181040

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20F2N2O3S2/c20-19(21)27-17-10-3-2-9-16(17)22-18(24)14-7-6-8-15(13-14)28(25,26)23-11-4-1-5-12-23/h2-3,6-10,13,19H,1,4-5,11-12H2,(H,22,24)
InChIKeyQVWQAQYKBWXXQC-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26181040) has the molecular formula C19H20F2N2O3S2 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26181040
Molecular FormulaC19H20F2N2O3S2
Molecular Weight426.51 g/mol
Exact Mass426.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20F2N2O3S2/c20-19(21)27-17-10-3-2-9-16(17)22-18(24)14-7-6-8-15(13-14)28(25,26)23-11-4-1-5-12-23/h2-3,6-10,13,19H,1,4-5,11-12H2,(H,22,24)
InChIKeyQVWQAQYKBWXXQC-UHFFFAOYSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide 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-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 8911034
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (CID 26181040) is N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1SC(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QVWQAQYKBWXXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S2/c20-19(21)27-17-10-3-2-9-16(17)22-18(24)14-7-6-8-15(13-14)28(25,26)23-11-4-1-5-12-23/h2-3,6-10,13,19H,1,4-5,11-12H2,(H,22,24).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 426.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26181040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).