N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide

C21H19F2NO4S2 — CID 11979226

IUPACN-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C21H19F2NO4S2/c1-15-5-8-20(29(25,26)19-9-6-17(22)7-10-19)14-21(15)30(27,28)24-12-11-16-3-2-4-18(23)13-16/h2-10,13-14,24H,11-12H2,1H3
InChIKeyFGTJYHOWFQWYFM-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide

N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide (PubChem CID 11979226) has the molecular formula C21H19F2NO4S2 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
PubChem CID11979226
Molecular FormulaC21H19F2NO4S2
Molecular Weight451.52 g/mol
Exact Mass451.07
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C21H19F2NO4S2/c1-15-5-8-20(29(25,26)19-9-6-17(22)7-10-19)14-21(15)30(27,28)24-12-11-16-3-2-4-18(23)13-16/h2-10,13-14,24H,11-12H2,1H3
InChIKeyFGTJYHOWFQWYFM-UHFFFAOYSA-N
XLogP3.63
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 57430119
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide
CID 57430469
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide (CID 11979226) is N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The InChIKey is FGTJYHOWFQWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4S2/c1-15-5-8-20(29(25,26)19-9-6-17(22)7-10-19)14-21(15)30(27,28)24-12-11-16-3-2-4-18(23)13-16/h2-10,13-14,24H,11-12H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide?
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide has a molecular weight of 451.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 11979226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).