6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C22H26N4O5S — CID 26480326

IUPAC6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c2)c1
InChIInChI=1S/C22H26N4O5S/c1-14(2)26(15(3)4)32(29,30)18-7-9-21(23-12-18)25-13-16(11-24-25)22(28)19-10-17(31-5)6-8-20(19)27/h6-15,27H,1-5H3
InChIKeyGLDCTPTWOBDJAO-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.02
Rot. Bonds8

About 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 26480326) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID26480326
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c2)c1
InChIInChI=1S/C22H26N4O5S/c1-14(2)26(15(3)4)32(29,30)18-7-9-21(23-12-18)25-13-16(11-24-25)22(28)19-10-17(31-5)6-8-20(19)27/h6-15,27H,1-5H3
InChIKeyGLDCTPTWOBDJAO-UHFFFAOYSA-N
XLogP3.02
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 26480326) is 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is COc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c2)c1.
What is the InChIKey of 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GLDCTPTWOBDJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-14(2)26(15(3)4)32(29,30)18-7-9-21(23-12-18)25-13-16(11-24-25)22(28)19-10-17(31-5)6-8-20(19)27/h6-15,27H,1-5H3.
What are the key properties of 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 458.54 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 26480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).