5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide

C19H20ClN3O4S — CID 135475942

IUPAC5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C19H20ClN3O4S/c1-3-22(4-2)28(26,27)19-11-13(17(24)12-18(19)25)15-9-10-21-23(15)16-8-6-5-7-14(16)20/h5-12,24-25H,3-4H2,1-2H3
InChIKeyXCYUUFFFLGNGKB-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.63
Rot. Bonds6

About 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide

5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide (PubChem CID 135475942) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide
PubChem CID135475942
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C19H20ClN3O4S/c1-3-22(4-2)28(26,27)19-11-13(17(24)12-18(19)25)15-9-10-21-23(15)16-8-6-5-7-14(16)20/h5-12,24-25H,3-4H2,1-2H3
InChIKeyXCYUUFFFLGNGKB-UHFFFAOYSA-N
XLogP3.63
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide?
The IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide (CID 135475942) is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O.
What is the InChIKey of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide?
The InChIKey is XCYUUFFFLGNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-3-22(4-2)28(26,27)19-11-13(17(24)12-18(19)25)15-9-10-21-23(15)16-8-6-5-7-14(16)20/h5-12,24-25H,3-4H2,1-2H3.
What are the key properties of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide?
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide has a molecular weight of 421.91 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide is sourced from PubChem (CID 135475942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).