N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

C26H26N2O4S — CID 55350429

IUPACN-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H26N2O4S/c1-2-32-24-12-10-23(11-13-24)27-33(30,31)25-14-8-22(9-15-25)26(29)28-18-16-21(17-19-28)20-6-4-3-5-7-20/h3-16,27H,2,17-19H2,1H3
InChIKeyMIBGUZUOMFGCKA-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.82
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (PubChem CID 55350429) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
PubChem CID55350429
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H26N2O4S/c1-2-32-24-12-10-23(11-13-24)27-33(30,31)25-14-8-22(9-15-25)26(29)28-18-16-21(17-19-28)20-6-4-3-5-7-20/h3-16,27H,2,17-19H2,1H3
InChIKeyMIBGUZUOMFGCKA-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495057
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (CID 55350429) is N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is MIBGUZUOMFGCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-2-32-24-12-10-23(11-13-24)27-33(30,31)25-14-8-22(9-15-25)26(29)28-18-16-21(17-19-28)20-6-4-3-5-7-20/h3-16,27H,2,17-19H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 462.57 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55350429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).