N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide

C17H19F2N3O3S — CID 56654455

IUPACN-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C17H19F2N3O3S/c18-17(19)25-16-7-2-1-6-15(16)21-26(23,24)14-5-3-4-13(12-14)22-10-8-20-9-11-22/h1-7,12,17,20-21H,8-11H2
InChIKeyAWFXQTKMNCEJAB-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 56654455) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
PubChem CID56654455
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C17H19F2N3O3S/c18-17(19)25-16-7-2-1-6-15(16)21-26(23,24)14-5-3-4-13(12-14)22-10-8-20-9-11-22/h1-7,12,17,20-21H,8-11H2
InChIKeyAWFXQTKMNCEJAB-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 56654456
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-(2-chloro-4-methoxy-5-piperazin-1-ylphenyl)-3-(difluoromethoxy)benzenesulfonamide
CID 67135896
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
CID 91141043
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 3904128
N-[2-[benzenesulfonyl(fluoro)amino]-5-piperazin-1-ylphenyl]benzenesulfonamide;hydrochloride
CID 174449060
N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 22272475

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide (CID 56654455) is N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide is O=S(=O)(Nc1ccccc1OC(F)F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is AWFXQTKMNCEJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c18-17(19)25-16-7-2-1-6-15(16)21-26(23,24)14-5-3-4-13(12-14)22-10-8-20-9-11-22/h1-7,12,17,20-21H,8-11H2.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 383.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 56654455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).