N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide

C22H18ClF3N2O3S — CID 68618591

IUPACN-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(Cc1cccnc1)c1ccc(-c2cccc(OC(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C22H18ClF3N2O3S/c23-21-12-17(6-9-20(21)16-4-1-5-18(11-16)31-22(24,25)26)28(32(29,30)19-7-8-19)14-15-3-2-10-27-13-15/h1-6,9-13,19H,7-8,14H2
InChIKeyIMGHMIHHGASFMQ-UHFFFAOYSA-N
MW482.91 g/mol
LogP5.80
Rot. Bonds7

About N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide

N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide (PubChem CID 68618591) has the molecular formula C22H18ClF3N2O3S and a molecular weight of 482.91 g/mol. Its IUPAC name is N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide
PubChem CID68618591
Molecular FormulaC22H18ClF3N2O3S
Molecular Weight482.91 g/mol
Exact Mass482.07
IUPAC NameN-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(Cc1cccnc1)c1ccc(-c2cccc(OC(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C22H18ClF3N2O3S/c23-21-12-17(6-9-20(21)16-4-1-5-18(11-16)31-22(24,25)26)28(32(29,30)19-7-8-19)14-15-3-2-10-27-13-15/h1-6,9-13,19H,7-8,14H2
InChIKeyIMGHMIHHGASFMQ-UHFFFAOYSA-N
XLogP5.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-[3-(dimethylamino)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 90872302
amino 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-[4-(trifluoromethoxy)phenyl]benzoate
CID 70126163
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
N,N-dimethyl-1-[3-pyridin-3-yl-6-(trifluoromethoxy)-1H-inden-2-yl]methanamine
CID 11602435
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
2,2,2-trifluoro-N-(3-formylphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521656
tert-butyl 2-[3-fluoro-N-methylsulfonyl-4-[3-(trifluoromethoxy)phenyl]anilino]acetate
CID 68618549
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222014
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide?
The IUPAC name of N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide (CID 68618591) is N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide?
The canonical SMILES for N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide is O=S(=O)(C1CC1)N(Cc1cccnc1)c1ccc(-c2cccc(OC(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide?
The InChIKey is IMGHMIHHGASFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O3S/c23-21-12-17(6-9-20(21)16-4-1-5-18(11-16)31-22(24,25)26)28(32(29,30)19-7-8-19)14-15-3-2-10-27-13-15/h1-6,9-13,19H,7-8,14H2.
What are the key properties of N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide?
N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide has a molecular weight of 482.91 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide is sourced from PubChem (CID 68618591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).