N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

C84H82Cl4N14O15S5 — CID 158103776

IUPACN-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(CC(N)=O)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Sc2ccncc2)cc1.CNc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C23H22ClN3O5S.C22H23ClN4O3S.C20H19ClN4O4S.C19H18ClN3O3S2/c1-14(2)32-18-6-8-19(9-7-18)33(30,31)27-20-12-17(24)13-26-22(20)23(29)16-5-3-4-15(10-16)11-21(25)28;1-22(2,3)15-6-8-17(9-7-15)31(29,30)27-18-11-16(23)13-26-20(18)21(28)14-5-10-19(24-4)25-12-14;1-12(2)29-15-4-6-16(7-5-15)30(27,28)25-17-9-14(21)11-24-19(17)20(26)13-3-8-18(22)23-10-13;1-13(2)26-15-3-5-17(6-4-15)28(24,25)23-18-11-14(20)12-22-19(18)27-16-7-9-21-10-8-16/h3-10,12-14,27H,11H2,1-2H3,(H2,25,28);5-13,27H,1-4H3,(H,24,25);3-12,25H,1-2H3,(H2,22,23);3-13,23H,1-2H3
InChIKeyFPOWAFWTMFNLQK-UHFFFAOYSA-N
MW1829.81 g/mol
LogP16.48
Rot. Bonds29

About N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158103776) has the molecular formula C84H82Cl4N14O15S5 and a molecular weight of 1829.81 g/mol. Its IUPAC name is N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID158103776
Molecular FormulaC84H82Cl4N14O15S5
Molecular Weight1829.81 g/mol
Exact Mass1826.34
IUPAC NameN-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(CC(N)=O)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Sc2ccncc2)cc1.CNc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C23H22ClN3O5S.C22H23ClN4O3S.C20H19ClN4O4S.C19H18ClN3O3S2/c1-14(2)32-18-6-8-19(9-7-18)33(30,31)27-20-12-17(24)13-26-22(20)23(29)16-5-3-4-15(10-16)11-21(25)28;1-22(2,3)15-6-8-17(9-7-15)31(29,30)27-18-11-16(23)13-26-20(18)21(28)14-5-10-19(24-4)25-12-14;1-12(2)29-15-4-6-16(7-5-15)30(27,28)25-17-9-14(21)11-24-19(17)20(26)13-3-8-18(22)23-10-13;1-13(2)26-15-3-5-17(6-4-15)28(24,25)23-18-11-14(20)12-22-19(18)27-16-7-9-21-10-8-16/h3-10,12-14,27H,11H2,1-2H3,(H2,25,28);5-13,27H,1-4H3,(H,24,25);3-12,25H,1-2H3,(H2,22,23);3-13,23H,1-2H3
InChIKeyFPOWAFWTMFNLQK-UHFFFAOYSA-N
XLogP16.48
TPSA434.95 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms122
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001829.81
LogP ≤ 516.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (CID 158103776) is N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(CC(N)=O)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Sc2ccncc2)cc1.CNc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is FPOWAFWTMFNLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S.C22H23ClN4O3S.C20H19ClN4O4S.C19H18ClN3O3S2/c1-14(2)32-18-6-8-19(9-7-18)33(30,31)27-20-12-17(24)13-26-22(20)23(29)16-5-3-4-15(10-16)11-21(25)28;1-22(2,3)15-6-8-17(9-7-15)31(29,30)27-18-11-16(23)13-26-20(18)21(28)14-5-10-19(24-4)25-12-14;1-12(2)29-15-4-6-16(7-5-15)30(27,28)25-17-9-14(21)11-24-19(17)20(26)13-3-8-18(22)23-10-13;1-13(2)26-15-3-5-17(6-4-15)28(24,25)23-18-11-14(20)12-22-19(18)27-16-7-9-21-10-8-16/h3-10,12-14,27H,11H2,1-2H3,(H2,25,28);5-13,27H,1-4H3,(H,24,25);3-12,25H,1-2H3,(H2,22,23);3-13,23H,1-2H3.
What are the key properties of N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1829.81 g/mol, XLogP of 16.48, 29 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 158103776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).