N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide

C18H21F2N3O3S — CID 56654456

IUPACN-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(c2cccc(S(=O)(=O)Nc3ccccc3OC(F)F)c2)CC1
InChIInChI=1S/C18H21F2N3O3S/c1-22-9-11-23(12-10-22)14-5-4-6-15(13-14)27(24,25)21-16-7-2-3-8-17(16)26-18(19)20/h2-8,13,18,21H,9-12H2,1H3
InChIKeyBWSAQXKIGOJAHO-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 56654456) has the molecular formula C18H21F2N3O3S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID56654456
Molecular FormulaC18H21F2N3O3S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(c2cccc(S(=O)(=O)Nc3ccccc3OC(F)F)c2)CC1
InChIInChI=1S/C18H21F2N3O3S/c1-22-9-11-23(12-10-22)14-5-4-6-15(13-14)27(24,25)21-16-7-2-3-8-17(16)26-18(19)20/h2-8,13,18,21H,9-12H2,1H3
InChIKeyBWSAQXKIGOJAHO-UHFFFAOYSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
CID 56654455
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 56654804
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
CID 22272539
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 3904128
butyl 4-[5-[[2-(difluoromethoxy)phenyl]sulfamoyl]-2-methoxyphenyl]piperazine-1-carboxylate
CID 86675738
4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 5212031
N-[2-(difluoromethoxy)phenyl]-3-hydroxybenzotriazole-5-sulfonamide
CID 2123020
N-[3-(difluoromethoxy)phenyl]-4-methyl-3-(4-methyl-1,4-diazepan-1-yl)benzenesulfonamide;hydrochloride
CID 66745265
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 56654456) is N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(c2cccc(S(=O)(=O)Nc3ccccc3OC(F)F)c2)CC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is BWSAQXKIGOJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3S/c1-22-9-11-23(12-10-22)14-5-4-6-15(13-14)27(24,25)21-16-7-2-3-8-17(16)26-18(19)20/h2-8,13,18,21H,9-12H2,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 397.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 56654456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).