N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C22H18ClF4NO3S — CID 130192950

IUPACN-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CC(F)(F)F)c2cccc(OCc3c(F)cccc3Cl)c2)c1
InChIInChI=1S/C22H18ClF4NO3S/c1-15-5-2-8-18(11-15)32(29,30)28(14-22(25,26)27)16-6-3-7-17(12-16)31-13-19-20(23)9-4-10-21(19)24/h2-12H,13-14H2,1H3
InChIKeyCVYFSQVKSRZSPQ-UHFFFAOYSA-N
MW487.90 g/mol
LogP6.12
Rot. Bonds7

About N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 130192950) has the molecular formula C22H18ClF4NO3S and a molecular weight of 487.90 g/mol. Its IUPAC name is N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID130192950
Molecular FormulaC22H18ClF4NO3S
Molecular Weight487.90 g/mol
Exact Mass487.06
IUPAC NameN-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(CC(F)(F)F)c2cccc(OCc3c(F)cccc3Cl)c2)c1
InChIInChI=1S/C22H18ClF4NO3S/c1-15-5-2-8-18(11-15)32(29,30)28(14-22(25,26)27)16-6-3-7-17(12-16)31-13-19-20(23)9-4-10-21(19)24/h2-12H,13-14H2,1H3
InChIKeyCVYFSQVKSRZSPQ-UHFFFAOYSA-N
XLogP6.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.90
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide with MolForge

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Related Compounds

1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
N-[3-[2-(2-chloro-6-fluorophenyl)ethoxy]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123304968
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475
N-[(E)-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340711
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
3-chloro-2-[(3-methylsulfonylphenoxy)methyl]aniline
CID 63746458
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176414
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
(3R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 126662519

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 130192950) is N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)N(CC(F)(F)F)c2cccc(OCc3c(F)cccc3Cl)c2)c1.
What is the InChIKey of N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is CVYFSQVKSRZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF4NO3S/c1-15-5-2-8-18(11-15)32(29,30)28(14-22(25,26)27)16-6-3-7-17(12-16)31-13-19-20(23)9-4-10-21(19)24/h2-12H,13-14H2,1H3.
What are the key properties of N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 487.90 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 130192950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).