4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide

C43H43Cl2N5O8S2 — CID 143262604

IUPAC4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide
SMILESCC(CCCOc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)C2=CCC(C(C)(C)C)C=C2)cn1)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccccc2)cc1
InChIInChI=1S/C43H43Cl2N5O8S2/c1-28(57-34-15-19-36(20-16-34)60(54,55)50-38-24-32(45)27-48-42(38)58-33-10-6-5-7-11-33)9-8-22-56-39-21-12-29(25-46-39)41(51)40-37(23-31(44)26-47-40)49-59(52,53)35-17-13-30(14-18-35)43(2,3)4/h5-7,10-13,15-21,23-28,30,49-50H,8-9,14,22H2,1-4H3
InChIKeyPNKCAPQQRIKHHP-UHFFFAOYSA-N
MW892.88 g/mol
LogP9.88
Rot. Bonds17

About 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide

4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 143262604) has the molecular formula C43H43Cl2N5O8S2 and a molecular weight of 892.88 g/mol. Its IUPAC name is 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide
PubChem CID143262604
Molecular FormulaC43H43Cl2N5O8S2
Molecular Weight892.88 g/mol
Exact Mass891.19
IUPAC Name4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide
SMILESCC(CCCOc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)C2=CCC(C(C)(C)C)C=C2)cn1)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccccc2)cc1
InChIInChI=1S/C43H43Cl2N5O8S2/c1-28(57-34-15-19-36(20-16-34)60(54,55)50-38-24-32(45)27-48-42(38)58-33-10-6-5-7-11-33)9-8-22-56-39-21-12-29(25-46-39)41(51)40-37(23-31(44)26-47-40)49-59(52,53)35-17-13-30(14-18-35)43(2,3)4/h5-7,10-13,15-21,23-28,30,49-50H,8-9,14,22H2,1-4H3
InChIKeyPNKCAPQQRIKHHP-UHFFFAOYSA-N
XLogP9.88
TPSA175.77 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500892.88
LogP ≤ 59.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide (CID 143262604) is 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide is CC(CCCOc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)C2=CCC(C(C)(C)C)C=C2)cn1)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Oc2ccccc2)cc1.
What is the InChIKey of 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is PNKCAPQQRIKHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43Cl2N5O8S2/c1-28(57-34-15-19-36(20-16-34)60(54,55)50-38-24-32(45)27-48-42(38)58-33-10-6-5-7-11-33)9-8-22-56-39-21-12-29(25-46-39)41(51)40-37(23-31(44)26-47-40)49-59(52,53)35-17-13-30(14-18-35)43(2,3)4/h5-7,10-13,15-21,23-28,30,49-50H,8-9,14,22H2,1-4H3.
What are the key properties of 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide?
4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 892.88 g/mol, XLogP of 9.88, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[5-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)sulfonylamino]-5-chloropyridine-2-carbonyl]-2-pyridinyl]oxy]pentan-2-yloxy]-N-(5-chloro-2-phenoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 143262604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).