N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C37H22Cl3F6N7O6S2 — CID 143610409

IUPACN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cc3cccc(C(=O)c4ncc(Cl)cc4NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)n3)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C37H22Cl3F6N7O6S2/c38-20-12-29(32(49-16-20)34(54)19-8-9-48-31(47)11-19)52-60(56,57)23-5-4-18(25(14-23)36(41,42)43)10-22-2-1-3-28(51-22)35(55)33-30(13-21(39)17-50-33)53-61(58,59)24-6-7-27(40)26(15-24)37(44,45)46/h1-9,11-17,52-53H,10H2,(H2,47,48)
InChIKeyLCHJBFQYSIDJMN-UHFFFAOYSA-N
MW945.11 g/mol
LogP8.50
Rot. Bonds12

About N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 143610409) has the molecular formula C37H22Cl3F6N7O6S2 and a molecular weight of 945.11 g/mol. Its IUPAC name is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID143610409
Molecular FormulaC37H22Cl3F6N7O6S2
Molecular Weight945.11 g/mol
Exact Mass943.00
IUPAC NameN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNc1cc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cc3cccc(C(=O)c4ncc(Cl)cc4NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)n3)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C37H22Cl3F6N7O6S2/c38-20-12-29(32(49-16-20)34(54)19-8-9-48-31(47)11-19)52-60(56,57)23-5-4-18(25(14-23)36(41,42)43)10-22-2-1-3-28(51-22)35(55)33-30(13-21(39)17-50-33)53-61(58,59)24-6-7-27(40)26(15-24)37(44,45)46/h1-9,11-17,52-53H,10H2,(H2,47,48)
InChIKeyLCHJBFQYSIDJMN-UHFFFAOYSA-N
XLogP8.50
TPSA204.06 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.11
LogP ≤ 58.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-Chloro-n-[5-chloro-2-(pyridine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11591022
4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57870822
N-[2-(2-amino-pyridine-3-carbonyl)-5-chloro-pyridin-3-yl]-4-chloro-3-trifluoromethyl-benzenesulfonamide
CID 57942096
4-chloro-N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 57942097
4-chloro-N-[5-chloro-2-(2-chloropyridine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 57942122
N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 57942133
2-amino-N-{4-[5-chloro-3-(4-methyl-3-trifluoromethyl-benzenesulfonylamino)-pyridine-2-carbonyl]-pyridin-2-yl}-acetamide
CID 57942139
N-[2-(2-amino-pyridine-4-carbonyl)-5-chloro-pyridin-3-yl]-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942159
4-chloro-N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 57942164
4-chloro-N-[5-chloro-2-(2-morpholin-4-yl-pyridine-4-carbonyl)-pyridin-3-yl]-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide
CID 57942167
N-[2-(2-amino-pyridine-4-carbonyl)-5-methyl-pyridin-3-yl]-4-chloro-3-trifluoro methyl-benzenesulfonamide
CID 57942210
N-[2-(2-aminopyridine-4-carbonyl)-5-chloropyridin-3-yl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 57942265

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 143610409) is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is Nc1cc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cc3cccc(C(=O)c4ncc(Cl)cc4NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)n3)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LCHJBFQYSIDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22Cl3F6N7O6S2/c38-20-12-29(32(49-16-20)34(54)19-8-9-48-31(47)11-19)52-60(56,57)23-5-4-18(25(14-23)36(41,42)43)10-22-2-1-3-28(51-22)35(55)33-30(13-21(39)17-50-33)53-61(58,59)24-6-7-27(40)26(15-24)37(44,45)46/h1-9,11-17,52-53H,10H2,(H2,47,48).
What are the key properties of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 945.11 g/mol, XLogP of 8.50, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-[[6-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143610409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).