4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

C81H77Cl4F2N9O14S4 — CID 158392419

IUPAC4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccno2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccc(F)cc2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2cccc(F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccccc2)cc1
InChIInChI=1S/2C21H20ClFN2O3S.C20H19ClN2O4S.C19H18ClN3O4S/c1-21(2,3)14-4-10-18(11-5-14)29(26,27)25-19-12-15(22)13-24-20(19)28-17-8-6-16(23)7-9-17;1-21(2,3)14-7-9-18(10-8-14)29(26,27)25-19-11-15(22)13-24-20(19)28-17-6-4-5-16(23)12-17;1-14(2)26-17-8-10-18(11-9-17)28(24,25)23-19-12-15(21)13-22-20(19)27-16-6-4-3-5-7-16;1-19(2,3)12-4-6-14(7-5-12)28(25,26)23-15-10-13(20)11-21-17(15)18(24)16-8-9-22-27-16/h2*4-13,25H,1-3H3;3-14,23H,1-2H3;4-11,23H,1-3H3
InChIKeyGXCXAQQMSODLIO-UHFFFAOYSA-N
MW1708.63 g/mol
LogP20.70
Rot. Bonds22

About 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158392419) has the molecular formula C81H77Cl4F2N9O14S4 and a molecular weight of 1708.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID158392419
Molecular FormulaC81H77Cl4F2N9O14S4
Molecular Weight1708.63 g/mol
Exact Mass1705.32
IUPAC Name4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccno2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccc(F)cc2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2cccc(F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccccc2)cc1
InChIInChI=1S/2C21H20ClFN2O3S.C20H19ClN2O4S.C19H18ClN3O4S/c1-21(2,3)14-4-10-18(11-5-14)29(26,27)25-19-12-15(22)13-24-20(19)28-17-8-6-16(23)7-9-17;1-21(2,3)14-7-9-18(10-8-14)29(26,27)25-19-11-15(22)13-24-20(19)28-17-6-4-5-16(23)12-17;1-14(2)26-17-8-10-18(11-9-17)28(24,25)23-19-12-15(21)13-22-20(19)27-16-6-4-3-5-7-16;1-19(2,3)12-4-6-14(7-5-12)28(25,26)23-15-10-13(20)11-21-17(15)18(24)16-8-9-22-27-16/h2*4-13,25H,1-3H3;3-14,23H,1-2H3;4-11,23H,1-3H3
InChIKeyGXCXAQQMSODLIO-UHFFFAOYSA-N
XLogP20.70
TPSA316.26 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.63
LogP ≤ 520.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (CID 158392419) is 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccno2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccc(F)cc2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2cccc(F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is GXCXAQQMSODLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20ClFN2O3S.C20H19ClN2O4S.C19H18ClN3O4S/c1-21(2,3)14-4-10-18(11-5-14)29(26,27)25-19-12-15(22)13-24-20(19)28-17-8-6-16(23)7-9-17;1-21(2,3)14-7-9-18(10-8-14)29(26,27)25-19-11-15(22)13-24-20(19)28-17-6-4-5-16(23)12-17;1-14(2)26-17-8-10-18(11-9-17)28(24,25)23-19-12-15(21)13-22-20(19)27-16-6-4-3-5-7-16;1-19(2,3)12-4-6-14(7-5-12)28(25,26)23-15-10-13(20)11-21-17(15)18(24)16-8-9-22-27-16/h2*4-13,25H,1-3H3;3-14,23H,1-2H3;4-11,23H,1-3H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1708.63 g/mol, XLogP of 20.70, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(3-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(1,2-oxazole-5-carbonyl)-3-pyridinyl]benzenesulfonamide;N-(5-chloro-2-phenoxy-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 158392419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).