2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide

C20H13ClF3NO4S — CID 2457636

IUPAC2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)oc1ccccc12
InChIInChI=1S/C20H13ClF3NO4S/c1-28-18-9-13-12-4-2-3-5-16(12)29-17(13)10-15(18)25-30(26,27)19-8-11(20(22,23)24)6-7-14(19)21/h2-10,25H,1H3
InChIKeyKUPDIRNRORLWEM-UHFFFAOYSA-N
MW455.84 g/mol
LogP6.07
Rot. Bonds4

About 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 2457636) has the molecular formula C20H13ClF3NO4S and a molecular weight of 455.84 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID2457636
Molecular FormulaC20H13ClF3NO4S
Molecular Weight455.84 g/mol
Exact Mass455.02
IUPAC Name2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)oc1ccccc12
InChIInChI=1S/C20H13ClF3NO4S/c1-28-18-9-13-12-4-2-3-5-16(12)29-17(13)10-15(18)25-30(26,27)19-8-11(20(22,23)24)6-7-14(19)21/h2-10,25H,1H3
InChIKeyKUPDIRNRORLWEM-UHFFFAOYSA-N
XLogP6.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.84
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978
4-methoxy-N-(2-methoxydibenzofuran-3-yl)naphthalene-1-sulfonamide
CID 2921082
methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
CID 2457012
2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 26951385
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
CID 10276840
N-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methoxydibenzofuran-3-amine
CID 3105325
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2100142
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3670999
5-chloro-N-dibenzofuran-3-yl-2-methoxybenzenesulfonamide
CID 100554095
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 2457636) is 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)oc1ccccc12.
What is the InChIKey of 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KUPDIRNRORLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3NO4S/c1-28-18-9-13-12-4-2-3-5-16(12)29-17(13)10-15(18)25-30(26,27)19-8-11(20(22,23)24)6-7-14(19)21/h2-10,25H,1H3.
What are the key properties of 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 455.84 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2457636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).