N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride

C84H87Cl7F9N17O15S3 — CID 157482771

IUPACN-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride
SMILESCC(C)(C)OC(=O)Nc1cccc(N)c1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(N)n1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(NC(=O)OC(C)(C)C)n1.CC(C)Nc1cccc(NC(=O)OC(C)(C)C)n1.O=C(Cl)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H26Cl2F3N5O5S.C21H18Cl2F3N5O3S.C13H6Cl3F3N2O3S.C13H21N3O2.C11H16N2O2/c1-14(2)36(21-8-6-7-20(33-21)34-24(38)41-25(3,4)5)23(37)22-19(11-15(27)13-32-22)35-42(39,40)16-9-10-18(28)17(12-16)26(29,30)31;1-11(2)31(18-5-3-4-17(27)29-18)20(32)19-16(8-12(22)10-28-19)30-35(33,34)13-6-7-15(23)14(9-13)21(24,25)26;14-6-3-10(11(12(16)22)20-5-6)21-25(23,24)7-1-2-9(15)8(4-7)13(17,18)19;1-9(2)14-10-7-6-8-11(15-10)16-12(17)18-13(3,4)5;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h6-14,35H,1-5H3,(H,33,34,38);3-11,30H,1-2H3,(H2,27,29);1-5,21H;6-9H,1-5H3,(H2,14,15,16,17);4-7H,12H2,1-3H3,(H,13,14)
InChIKeyBWISVUUGDAMDDR-UHFFFAOYSA-N
MW2090.08 g/mol
LogP22.70
Rot. Bonds21

About N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride

N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride (PubChem CID 157482771) has the molecular formula C84H87Cl7F9N17O15S3 and a molecular weight of 2090.08 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride
PubChem CID157482771
Molecular FormulaC84H87Cl7F9N17O15S3
Molecular Weight2090.08 g/mol
Exact Mass2085.34
IUPAC NameN-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride
SMILESCC(C)(C)OC(=O)Nc1cccc(N)c1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(N)n1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(NC(=O)OC(C)(C)C)n1.CC(C)Nc1cccc(NC(=O)OC(C)(C)C)n1.O=C(Cl)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H26Cl2F3N5O5S.C21H18Cl2F3N5O3S.C13H6Cl3F3N2O3S.C13H21N3O2.C11H16N2O2/c1-14(2)36(21-8-6-7-20(33-21)34-24(38)41-25(3,4)5)23(37)22-19(11-15(27)13-32-22)35-42(39,40)16-9-10-18(28)17(12-16)26(29,30)31;1-11(2)31(18-5-3-4-17(27)29-18)20(32)19-16(8-12(22)10-28-19)30-35(33,34)13-6-7-15(23)14(9-13)21(24,25)26;14-6-3-10(11(12(16)22)20-5-6)21-25(23,24)7-1-2-9(15)8(4-7)13(17,18)19;1-9(2)14-10-7-6-8-11(15-10)16-12(17)18-13(3,4)5;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h6-14,35H,1-5H3,(H,33,34,38);3-11,30H,1-2H3,(H2,27,29);1-5,21H;6-9H,1-5H3,(H2,14,15,16,17);4-7H,12H2,1-3H3,(H,13,14)
InChIKeyBWISVUUGDAMDDR-UHFFFAOYSA-N
XLogP22.70
TPSA452.60 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.08
LogP ≤ 522.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride with MolForge

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Related Compounds

N-(6-aminopyridin-2-yl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 57942219
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-yl-N-pyridin-2-ylpyridine-2-carboxamide
CID 57942233
tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]pyridin-2-yl]carbamate
CID 57942518
tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-ethylamino]pyridin-2-yl]carbamate
CID 57942631
5-Chloro-3-[(4-chloro-3-trifluoromethyl-benzenesulfonyl)-methoxymethyl-amino]-pyridine-2-carboxylic acid 2-(isopropylamino)pyridylamide
CID 66648919
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[6-(methylamino)-2-pyridinyl]-N-propan-2-ylpyridine-2-carboxamide
CID 71130270
N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(6-amino-2-pyridinyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride
CID 157383039
4-chloro-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157551723
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;N,6-dimethylpyridin-2-amine;methane
CID 157761528
N-[2-(2-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;tert-butyl N-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carbonyl]-2-pyridinyl]carbamate;methane
CID 157771628
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;methane;N-methylpyridin-2-amine
CID 157956465
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;N-methylpyridin-2-amine
CID 157978033

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride?
The IUPAC name of N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride (CID 157482771) is N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride?
The canonical SMILES for N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride is CC(C)(C)OC(=O)Nc1cccc(N)c1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(N)n1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(NC(=O)OC(C)(C)C)n1.CC(C)Nc1cccc(NC(=O)OC(C)(C)C)n1.O=C(Cl)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride?
The InChIKey is BWISVUUGDAMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F3N5O5S.C21H18Cl2F3N5O3S.C13H6Cl3F3N2O3S.C13H21N3O2.C11H16N2O2/c1-14(2)36(21-8-6-7-20(33-21)34-24(38)41-25(3,4)5)23(37)22-19(11-15(27)13-32-22)35-42(39,40)16-9-10-18(28)17(12-16)26(29,30)31;1-11(2)31(18-5-3-4-17(27)29-18)20(32)19-16(8-12(22)10-28-19)30-35(33,34)13-6-7-15(23)14(9-13)21(24,25)26;14-6-3-10(11(12(16)22)20-5-6)21-25(23,24)7-1-2-9(15)8(4-7)13(17,18)19;1-9(2)14-10-7-6-8-11(15-10)16-12(17)18-13(3,4)5;1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h6-14,35H,1-5H3,(H,33,34,38);3-11,30H,1-2H3,(H2,27,29);1-5,21H;6-9H,1-5H3,(H2,14,15,16,17);4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride?
N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride has a molecular weight of 2090.08 g/mol, XLogP of 22.70, 21 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylpyridine-2-carboxamide;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[6-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-propan-2-ylamino]-2-pyridinyl]carbamate;tert-butyl N-[6-(propan-2-ylamino)-2-pyridinyl]carbamate;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl chloride is sourced from PubChem (CID 157482771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).