N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide

C25H28N2O4S — CID 4282252

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
SMILESCOCCN(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-11-13-21(14-12-19)32(29,30)26(15-16-31-2)17-20(28)18-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-14,20,28H,15-18H2,1-2H3
InChIKeyYPCIWROJQNBTOS-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.80
Rot. Bonds9

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide (PubChem CID 4282252) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
PubChem CID4282252
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
SMILESCOCCN(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-11-13-21(14-12-19)32(29,30)26(15-16-31-2)17-20(28)18-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-14,20,28H,15-18H2,1-2H3
InChIKeyYPCIWROJQNBTOS-UHFFFAOYSA-N
XLogP3.80
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 1296457
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-[3-(3-formylindol-1-yl)-2-hydroxypropyl]-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 18560750
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
CID 44883503
3-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 15991298

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide (CID 4282252) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide is COCCN(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is YPCIWROJQNBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-11-13-21(14-12-19)32(29,30)26(15-16-31-2)17-20(28)18-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-14,20,28H,15-18H2,1-2H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 4282252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).