4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C18H14ClF3N2O3S — CID 30668612

IUPAC4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H14ClF3N2O3S/c19-14-5-6-17(16(9-14)18(20,21)22)28(25,26)24(12-15-4-2-8-27-15)11-13-3-1-7-23-10-13/h1-10H,11-12H2
InChIKeyODRMRRPTPUFPSN-UHFFFAOYSA-N
MW430.84 g/mol
LogP4.74
Rot. Bonds6

About 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 30668612) has the molecular formula C18H14ClF3N2O3S and a molecular weight of 430.84 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID30668612
Molecular FormulaC18H14ClF3N2O3S
Molecular Weight430.84 g/mol
Exact Mass430.04
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H14ClF3N2O3S/c19-14-5-6-17(16(9-14)18(20,21)22)28(25,26)24(12-15-4-2-8-27-15)11-13-3-1-7-23-10-13/h1-10H,11-12H2
InChIKeyODRMRRPTPUFPSN-UHFFFAOYSA-N
XLogP4.74
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 30660804
N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 55627832
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75868911
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
2-chloro-N-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 30232442
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
[3-[[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 30668612) is 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ODRMRRPTPUFPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3S/c19-14-5-6-17(16(9-14)18(20,21)22)28(25,26)24(12-15-4-2-8-27-15)11-13-3-1-7-23-10-13/h1-10H,11-12H2.
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 430.84 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30668612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).