6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide

C19H19ClN4O4S — CID 25415200

IUPAC6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)nc1
InChIInChI=1S/C19H19ClN4O4S/c1-3-23(4-2)29(27,28)15-6-8-18(21-11-15)24-12-13(10-22-24)19(26)16-9-14(20)5-7-17(16)25/h5-12,25H,3-4H2,1-2H3
InChIKeyDYWWTVYUVKSNKZ-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.89
Rot. Bonds7

About 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide

6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 25415200) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID25415200
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Name6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)nc1
InChIInChI=1S/C19H19ClN4O4S/c1-3-23(4-2)29(27,28)15-6-8-18(21-11-15)24-12-13(10-22-24)19(26)16-9-14(20)5-7-17(16)25/h5-12,25H,3-4H2,1-2H3
InChIKeyDYWWTVYUVKSNKZ-UHFFFAOYSA-N
XLogP2.89
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide (CID 25415200) is 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)nc1.
What is the InChIKey of 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is DYWWTVYUVKSNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-3-23(4-2)29(27,28)15-6-8-18(21-11-15)24-12-13(10-22-24)19(26)16-9-14(20)5-7-17(16)25/h5-12,25H,3-4H2,1-2H3.
What are the key properties of 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide?
6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 434.91 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 25415200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).