N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C23H25N5O4S — CID 2432318

IUPACN-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H25N5O4S/c1-2-32-20-8-6-19(7-9-20)26-33(30,31)21-10-4-18(5-11-21)22(29)27-14-16-28(17-15-27)23-24-12-3-13-25-23/h3-13,26H,2,14-17H2,1H3
InChIKeyOEHWTMDBIOUKGK-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.64
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 2432318) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID2432318
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H25N5O4S/c1-2-32-20-8-6-19(7-9-20)26-33(30,31)21-10-4-18(5-11-21)22(29)27-14-16-28(17-15-27)23-24-12-3-13-25-23/h3-13,26H,2,14-17H2,1H3
InChIKeyOEHWTMDBIOUKGK-UHFFFAOYSA-N
XLogP2.64
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 2432318) is N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is OEHWTMDBIOUKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-2-32-20-8-6-19(7-9-20)26-33(30,31)21-10-4-18(5-11-21)22(29)27-14-16-28(17-15-27)23-24-12-3-13-25-23/h3-13,26H,2,14-17H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2432318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).