N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide

C23H26N4O3S — CID 4816077

IUPACN-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3O)CC2)nc1
InChIInChI=1S/C23H26N4O3S/c1-2-27(19-8-4-3-5-9-19)31(29,30)20-12-13-23(24-18-20)26-16-14-25(15-17-26)21-10-6-7-11-22(21)28/h3-13,18,28H,2,14-17H2,1H3
InChIKeyZONNKUCMDGASGU-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.33
Rot. Bonds6

About N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 4816077) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID4816077
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3O)CC2)nc1
InChIInChI=1S/C23H26N4O3S/c1-2-27(19-8-4-3-5-9-19)31(29,30)20-12-13-23(24-18-20)26-16-14-25(15-17-26)21-10-6-7-11-22(21)28/h3-13,18,28H,2,14-17H2,1H3
InChIKeyZONNKUCMDGASGU-UHFFFAOYSA-N
XLogP3.33
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide (CID 4816077) is N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3O)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is ZONNKUCMDGASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-2-27(19-8-4-3-5-9-19)31(29,30)20-12-13-23(24-18-20)26-16-14-25(15-17-26)21-10-6-7-11-22(21)28/h3-13,18,28H,2,14-17H2,1H3.
What are the key properties of N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 4816077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).