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

C21H18ClF2NO2S — CID 42842020

IUPAC3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)c1ccccc1F
InChIInChI=1S/C21H18ClF2NO2S/c1-14-19(22)7-5-9-21(14)28(26,27)25(17-12-10-16(23)11-13-17)15(2)18-6-3-4-8-20(18)24/h3-13,15H,1-2H3
InChIKeyCDCZWNMRFVOHSQ-UHFFFAOYSA-N
MW421.90 g/mol
LogP5.88
Rot. Bonds5

About 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide

3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 42842020) has the molecular formula C21H18ClF2NO2S and a molecular weight of 421.90 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID42842020
Molecular FormulaC21H18ClF2NO2S
Molecular Weight421.90 g/mol
Exact Mass421.07
IUPAC Name3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)c1ccccc1F
InChIInChI=1S/C21H18ClF2NO2S/c1-14-19(22)7-5-9-21(14)28(26,27)25(17-12-10-16(23)11-13-17)15(2)18-6-3-4-8-20(18)24/h3-13,15H,1-2H3
InChIKeyCDCZWNMRFVOHSQ-UHFFFAOYSA-N
XLogP5.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.90
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842026
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 67283394
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93147507
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 93207276
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842037
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207668
N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 42841653
4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline
CID 102369575
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 42842020) is 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)c1ccccc1F.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is CDCZWNMRFVOHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2NO2S/c1-14-19(22)7-5-9-21(14)28(26,27)25(17-12-10-16(23)11-13-17)15(2)18-6-3-4-8-20(18)24/h3-13,15H,1-2H3.
What are the key properties of 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 421.90 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 42842020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).