N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide

C23H21N3O2S — CID 135295554

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
SMILESCS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc(C#N)c1
InChIInChI=1S/C23H21N3O2S/c1-29(28)26(18-8-6-7-17(13-18)14-24)16-19(27)15-25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-13,19,27H,15-16H2,1H3
InChIKeyJXLBIHYLNSKQPH-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.83
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide (PubChem CID 135295554) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
PubChem CID135295554
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
SMILESCS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc(C#N)c1
InChIInChI=1S/C23H21N3O2S/c1-29(28)26(18-8-6-7-17(13-18)14-24)16-19(27)15-25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-13,19,27H,15-16H2,1H3
InChIKeyJXLBIHYLNSKQPH-UHFFFAOYSA-N
XLogP3.83
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide (CID 135295554) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide is CS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc(C#N)c1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide?
The InChIKey is JXLBIHYLNSKQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-29(28)26(18-8-6-7-17(13-18)14-24)16-19(27)15-25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-13,19,27H,15-16H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide has a molecular weight of 403.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide is sourced from PubChem (CID 135295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).