4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide

C92H97Cl4N13O13S5 — CID 159224181

IUPAC4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCc3cccnc32)cc1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.CC(C)Oc1ccc(S(=O)(=O)N(C)c2cc(Cl)cnc2Sc2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C25H28ClN3O3S.C24H25ClN4O3S.C22H23ClN4O4S.C21H21ClN2O3S2/c1-17(2)29(20-9-7-6-8-10-20)24(30)23-22(15-19(26)16-27-23)28-33(31,32)21-13-11-18(12-14-21)25(3,4)5;1-24(2,3)17-8-10-19(11-9-17)33(31,32)28-20-14-18(25)15-27-21(20)23(30)29-13-5-7-16-6-4-12-26-22(16)29;1-14(2)31-17-6-8-18(9-7-17)32(29,30)26-19-11-16(23)13-25-21(19)22(28)15-5-10-20(24-12-15)27(3)4;1-15(2)27-17-9-11-19(12-10-17)29(25,26)24(3)20-13-16(22)14-23-21(20)28-18-7-5-4-6-8-18/h6-17,28H,1-5H3;4,6,8-12,14-15,28H,5,7,13H2,1-3H3;5-14,26H,1-4H3;4-15H,1-3H3
InChIKeyKSBPLJPRAOERNE-UHFFFAOYSA-N
MW1895.01 g/mol
LogP20.22
Rot. Bonds25

About 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159224181) has the molecular formula C92H97Cl4N13O13S5 and a molecular weight of 1895.01 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID159224181
Molecular FormulaC92H97Cl4N13O13S5
Molecular Weight1895.01 g/mol
Exact Mass1891.47
IUPAC Name4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCc3cccnc32)cc1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.CC(C)Oc1ccc(S(=O)(=O)N(C)c2cc(Cl)cnc2Sc2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C25H28ClN3O3S.C24H25ClN4O3S.C22H23ClN4O4S.C21H21ClN2O3S2/c1-17(2)29(20-9-7-6-8-10-20)24(30)23-22(15-19(26)16-27-23)28-33(31,32)21-13-11-18(12-14-21)25(3,4)5;1-24(2,3)17-8-10-19(11-9-17)33(31,32)28-20-14-18(25)15-27-21(20)23(30)29-13-5-7-16-6-4-12-26-22(16)29;1-14(2)31-17-6-8-18(9-7-17)32(29,30)26-19-11-16(23)13-25-21(19)22(28)15-5-10-20(24-12-15)27(3)4;1-15(2)27-17-9-11-19(12-10-17)29(25,26)24(3)20-13-16(22)14-23-21(20)28-18-7-5-4-6-8-18/h6-17,28H,1-5H3;4,6,8-12,14-15,28H,5,7,13H2,1-3H3;5-14,26H,1-4H3;4-15H,1-3H3
InChIKeyKSBPLJPRAOERNE-UHFFFAOYSA-N
XLogP20.22
TPSA332.62 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.01
LogP ≤ 520.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-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-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide (CID 159224181) is 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCc3cccnc32)cc1.CC(C)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.CC(C)Oc1ccc(S(=O)(=O)N(C)c2cc(Cl)cnc2Sc2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N(C)C)nc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is KSBPLJPRAOERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3S.C24H25ClN4O3S.C22H23ClN4O4S.C21H21ClN2O3S2/c1-17(2)29(20-9-7-6-8-10-20)24(30)23-22(15-19(26)16-27-23)28-33(31,32)21-13-11-18(12-14-21)25(3,4)5;1-24(2,3)17-8-10-19(11-9-17)33(31,32)28-20-14-18(25)15-27-21(20)23(30)29-13-5-7-16-6-4-12-26-22(16)29;1-14(2)31-17-6-8-18(9-7-17)32(29,30)26-19-11-16(23)13-25-21(19)22(28)15-5-10-20(24-12-15)27(3)4;1-15(2)27-17-9-11-19(12-10-17)29(25,26)24(3)20-13-16(22)14-23-21(20)28-18-7-5-4-6-8-18/h6-17,28H,1-5H3;4,6,8-12,14-15,28H,5,7,13H2,1-3H3;5-14,26H,1-4H3;4-15H,1-3H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1895.01 g/mol, XLogP of 20.22, 25 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl)-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-phenyl-N-propan-2-ylpyridine-2-carboxamide;N-[5-chloro-2-[6-(dimethylamino)pyridine-3-carbonyl]-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(5-chloro-2-phenylsulfanyl-3-pyridinyl)-N-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159224181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).