N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide

C21H19F2NO2S — CID 46023211

IUPACN-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)c1ccccc1F
InChIInChI=1S/C21H19F2NO2S/c1-15-7-3-6-10-21(15)27(25,26)24(18-13-11-17(22)12-14-18)16(2)19-8-4-5-9-20(19)23/h3-14,16H,1-2H3
InChIKeyMACCZEXNMUKNMN-UHFFFAOYSA-N
MW387.45 g/mol
LogP5.23
Rot. Bonds5

About N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide

N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 46023211) has the molecular formula C21H19F2NO2S and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID46023211
Molecular FormulaC21H19F2NO2S
Molecular Weight387.45 g/mol
Exact Mass387.11
IUPAC NameN-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)c1ccccc1F
InChIInChI=1S/C21H19F2NO2S/c1-15-7-3-6-10-21(15)27(25,26)24(18-13-11-17(22)12-14-18)16(2)19-8-4-5-9-20(19)23/h3-14,16H,1-2H3
InChIKeyMACCZEXNMUKNMN-UHFFFAOYSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenyl-P-toluenesulfonanilide
CID 316053
N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
1-(4-Tert-butylbenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 1041738
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
2,4,6,N-Tetramethylbenzenesulfonanilide
CID 742447
1-(4-Tert-butylbenzenesulfonyl)-4-(2-fluorophenyl)piperazine
CID 1277351
5-fluoro-2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738594
1-[(4-Fluoro-3-methylphenyl)sulfonyl]-4-(2-methylphenyl)piperazine
CID 1259136
[(4-Methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine
CID 3453336
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 46023211) is N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)c1ccccc1F.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is MACCZEXNMUKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2S/c1-15-7-3-6-10-21(15)27(25,26)24(18-13-11-17(22)12-14-18)16(2)19-8-4-5-9-20(19)23/h3-14,16H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 46023211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).