4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C44H34Cl4F6N4O10S4 — CID 159688841

IUPAC4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)cnc1C(=O)c1ccccc1S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)c1ccccc1SC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H17Cl2F3N2O6S2.C22H17Cl2F3N2O4S2/c1-35-12-29(37(33,34)14-7-8-17(24)16(10-14)22(25,26)27)18-9-13(23)11-28-20(18)21(30)15-5-3-4-6-19(15)36(2,31)32;1-33-12-29(35(31,32)14-7-8-17(24)16(10-14)22(25,26)27)18-9-13(23)11-28-20(18)21(30)15-5-3-4-6-19(15)34-2/h3-11H,12H2,1-2H3;3-11H,12H2,1-2H3
InChIKeyMWDPCDKHZGLXRU-UHFFFAOYSA-N
MW1162.84 g/mol
LogP11.00
Rot. Bonds16

About 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159688841) has the molecular formula C44H34Cl4F6N4O10S4 and a molecular weight of 1162.84 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID159688841
Molecular FormulaC44H34Cl4F6N4O10S4
Molecular Weight1162.84 g/mol
Exact Mass1159.98
IUPAC Name4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)cnc1C(=O)c1ccccc1S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)c1ccccc1SC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H17Cl2F3N2O6S2.C22H17Cl2F3N2O4S2/c1-35-12-29(37(33,34)14-7-8-17(24)16(10-14)22(25,26)27)18-9-13(23)11-28-20(18)21(30)15-5-3-4-6-19(15)36(2,31)32;1-33-12-29(35(31,32)14-7-8-17(24)16(10-14)22(25,26)27)18-9-13(23)11-28-20(18)21(30)15-5-3-4-6-19(15)34-2/h3-11H,12H2,1-2H3;3-11H,12H2,1-2H3
InChIKeyMWDPCDKHZGLXRU-UHFFFAOYSA-N
XLogP11.00
TPSA187.28 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.84
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 159688841) is 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(Cl)cnc1C(=O)c1ccccc1S(C)(=O)=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)c1ccccc1SC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MWDPCDKHZGLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O6S2.C22H17Cl2F3N2O4S2/c1-35-12-29(37(33,34)14-7-8-17(24)16(10-14)22(25,26)27)18-9-13(23)11-28-20(18)21(30)15-5-3-4-6-19(15)36(2,31)32;1-33-12-29(35(31,32)14-7-8-17(24)16(10-14)22(25,26)27)18-9-13(23)11-28-20(18)21(30)15-5-3-4-6-19(15)34-2/h3-11H,12H2,1-2H3;3-11H,12H2,1-2H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1162.84 g/mol, XLogP of 11.00, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2-methylsulfanylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159688841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).