N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide

C14H10ClF4NO3S — CID 86887971

IUPACN-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF4NO3S/c1-23-13-10(15)3-2-4-11(13)20-24(21,22)12-6-5-8(16)7-9(12)14(17,18)19/h2-7,20H,1H3
InChIKeyXKJOCEJKRWSCKF-UHFFFAOYSA-N
MW383.75 g/mol
LogP4.31
Rot. Bonds4

About N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide

N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 86887971) has the molecular formula C14H10ClF4NO3S and a molecular weight of 383.75 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
PubChem CID86887971
Molecular FormulaC14H10ClF4NO3S
Molecular Weight383.75 g/mol
Exact Mass383.00
IUPAC NameN-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF4NO3S/c1-23-13-10(15)3-2-4-11(13)20-24(21,22)12-6-5-8(16)7-9(12)14(17,18)19/h2-7,20H,1H3
InChIKeyXKJOCEJKRWSCKF-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-(2,3-dichlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 1256564
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 56798967
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3773683
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide (CID 86887971) is N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide is COc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XKJOCEJKRWSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO3S/c1-23-13-10(15)3-2-4-11(13)20-24(21,22)12-6-5-8(16)7-9(12)14(17,18)19/h2-7,20H,1H3.
What are the key properties of N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide?
N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 383.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86887971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).