6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide

C48H52BrCl2N13O9S2 — CID 159466911

IUPAC6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C(C)(C)C)cc1.COCN(c1cc(Cl)cnc1C(=O)c1cccc(N=[N+]=[N-])n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CON(C)C(=O)c1cccc(N=[N+]=[N-])n1
InChIInChI=1S/C23H23ClN6O4S.C17H20BrClN2O3S.C8H9N5O2/c1-23(2,3)15-8-10-17(11-9-15)35(32,33)30(14-34-4)19-12-16(24)13-26-21(19)22(31)18-6-5-7-20(27-18)28-29-25;1-17(2,3)12-5-7-14(8-6-12)25(22,23)21(11-24-4)15-9-13(19)10-20-16(15)18;1-13(15-2)8(14)6-4-3-5-7(10-6)11-12-9/h5-13H,14H2,1-4H3;5-10H,11H2,1-4H3;3-5H,1-2H3
InChIKeyLVHNNKCOZITPDW-UHFFFAOYSA-N
MW1169.97 g/mol
LogP11.65
Rot. Bonds16

About 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide

6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide (PubChem CID 159466911) has the molecular formula C48H52BrCl2N13O9S2 and a molecular weight of 1169.97 g/mol. Its IUPAC name is 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide
PubChem CID159466911
Molecular FormulaC48H52BrCl2N13O9S2
Molecular Weight1169.97 g/mol
Exact Mass1167.20
IUPAC Name6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C(C)(C)C)cc1.COCN(c1cc(Cl)cnc1C(=O)c1cccc(N=[N+]=[N-])n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CON(C)C(=O)c1cccc(N=[N+]=[N-])n1
InChIInChI=1S/C23H23ClN6O4S.C17H20BrClN2O3S.C8H9N5O2/c1-23(2,3)15-8-10-17(11-9-15)35(32,33)30(14-34-4)19-12-16(24)13-26-21(19)22(31)18-6-5-7-20(27-18)28-29-25;1-17(2,3)12-5-7-14(8-6-12)25(22,23)21(11-24-4)15-9-13(19)10-20-16(15)18;1-13(15-2)8(14)6-4-3-5-7(10-6)11-12-9/h5-13H,14H2,1-4H3;5-10H,11H2,1-4H3;3-5H,1-2H3
InChIKeyLVHNNKCOZITPDW-UHFFFAOYSA-N
XLogP11.65
TPSA288.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.97
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide with MolForge

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Related Compounds

6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;methane
CID 159712207
4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 126760895
N-(2-bromo-5-chloro-6-methyl-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(2-methylsulfonylbenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;N-methoxy-N-methyl-2-methylsulfanylbenzamide
CID 158086110
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
4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 157268799
4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157156180
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methoxy-N-methylpyridine-2-carboxamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide
CID 159996947
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159989205
4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane
CID 157216106
4-chloro-N-[5-chloro-2-[(2-chloro-6-nitrophenyl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 87091687
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159735316

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide (CID 159466911) is 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide is COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C(C)(C)C)cc1.COCN(c1cc(Cl)cnc1C(=O)c1cccc(N=[N+]=[N-])n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CON(C)C(=O)c1cccc(N=[N+]=[N-])n1.
What is the InChIKey of 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is LVHNNKCOZITPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O4S.C17H20BrClN2O3S.C8H9N5O2/c1-23(2,3)15-8-10-17(11-9-15)35(32,33)30(14-34-4)19-12-16(24)13-26-21(19)22(31)18-6-5-7-20(27-18)28-29-25;1-17(2,3)12-5-7-14(8-6-12)25(22,23)21(11-24-4)15-9-13(19)10-20-16(15)18;1-13(15-2)8(14)6-4-3-5-7(10-6)11-12-9/h5-13H,14H2,1-4H3;5-10H,11H2,1-4H3;3-5H,1-2H3.
What are the key properties of 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 1169.97 g/mol, XLogP of 11.65, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-methoxy-N-methylpyridine-2-carboxamide;N-[2-(6-azidopyridine-2-carbonyl)-5-chloro-3-pyridinyl]-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide;N-(2-bromo-5-chloro-3-pyridinyl)-4-tert-butyl-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 159466911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).