4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C25H27N3O5S — CID 25102652

IUPAC4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4O)CC3)c2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-33-21-10-12-22(13-11-21)34(31,32)26-20-7-5-6-19(18-20)25(30)28-16-14-27(15-17-28)23-8-3-4-9-24(23)29/h3-13,18,26,29H,2,14-17H2,1H3
InChIKeyZKEDIXVVTVFELU-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.55
Rot. Bonds7

About 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 25102652) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID25102652
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4O)CC3)c2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-33-21-10-12-22(13-11-21)34(31,32)26-20-7-5-6-19(18-20)25(30)28-16-14-27(15-17-28)23-8-3-4-9-24(23)29/h3-13,18,26,29H,2,14-17H2,1H3
InChIKeyZKEDIXVVTVFELU-UHFFFAOYSA-N
XLogP3.55
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
3-methoxy-N-(4-(4-phenylpiperazine-1-carbonyl)benzyl)benzenesulfonamide
CID 984423
3-methoxy-N-[3-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 984918
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 25102652) is 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccccc4O)CC3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is ZKEDIXVVTVFELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-2-33-21-10-12-22(13-11-21)34(31,32)26-20-7-5-6-19(18-20)25(30)28-16-14-27(15-17-28)23-8-3-4-9-24(23)29/h3-13,18,26,29H,2,14-17H2,1H3.
What are the key properties of 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25102652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).