N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide

C15H15F3N2O4S2 — CID 166229475

IUPACN-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H15F3N2O4S2/c1-25(21,22)20-15-5-4-12(9-14(15)18)26(23,24)19-7-6-10-2-3-11(16)8-13(10)17/h2-5,8-9,19-20H,6-7H2,1H3
InChIKeyBUMLBNOFIFCYPP-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide

N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 166229475) has the molecular formula C15H15F3N2O4S2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
PubChem CID166229475
Molecular FormulaC15H15F3N2O4S2
Molecular Weight408.42 g/mol
Exact Mass408.04
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H15F3N2O4S2/c1-25(21,22)20-15-5-4-12(9-14(15)18)26(23,24)19-7-6-10-2-3-11(16)8-13(10)17/h2-5,8-9,19-20H,6-7H2,1H3
InChIKeyBUMLBNOFIFCYPP-UHFFFAOYSA-N
XLogP2.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)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-amino-2-ethylbutyl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119989920
1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
CID 110789026
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 120664861
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977160
4-[2-(2,4-difluorophenyl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide
CID 133302386
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-(4-aminobutyl)-4-(ethylsulfonylamino)-3-fluorobenzenesulfonamide;hydrochloride
CID 120583201
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
CID 119983247
N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110788208
3-fluoro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 39634777
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide (CID 166229475) is N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is BUMLBNOFIFCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4S2/c1-25(21,22)20-15-5-4-12(9-14(15)18)26(23,24)19-7-6-10-2-3-11(16)8-13(10)17/h2-5,8-9,19-20H,6-7H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide?
N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 408.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 166229475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).