2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide

C17H18Cl2FNO3S — CID 90599295

IUPAC2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cc(C)c(Cl)cc1Cl)c1ccccc1F
InChIInChI=1S/C17H18Cl2FNO3S/c1-11-8-16(14(19)9-13(11)18)25(22,23)21-10-17(2,24-3)12-6-4-5-7-15(12)20/h4-9,21H,10H2,1-3H3
InChIKeyJUGOMHUWZNDLOS-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.28
Rot. Bonds6

About 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide (PubChem CID 90599295) has the molecular formula C17H18Cl2FNO3S and a molecular weight of 406.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
PubChem CID90599295
Molecular FormulaC17H18Cl2FNO3S
Molecular Weight406.31 g/mol
Exact Mass405.04
IUPAC Name2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cc(C)c(Cl)cc1Cl)c1ccccc1F
InChIInChI=1S/C17H18Cl2FNO3S/c1-11-8-16(14(19)9-13(11)18)25(22,23)21-10-17(2,24-3)12-6-4-5-7-15(12)20/h4-9,21H,10H2,1-3H3
InChIKeyJUGOMHUWZNDLOS-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599250
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide
CID 90599293
3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71810675
1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
CID 121085769
2,4-dichloro-5-methyl-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 121124008
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide (CID 90599295) is 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide is COC(C)(CNS(=O)(=O)c1cc(C)c(Cl)cc1Cl)c1ccccc1F.
What is the InChIKey of 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide?
The InChIKey is JUGOMHUWZNDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FNO3S/c1-11-8-16(14(19)9-13(11)18)25(22,23)21-10-17(2,24-3)12-6-4-5-7-15(12)20/h4-9,21H,10H2,1-3H3.
What are the key properties of 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 90599295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).