N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide

C26H24N2O2S — CID 135295627

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
SMILESCS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O2S/c1-31(30)28(26-16-8-10-19-9-2-3-11-21(19)26)18-20(29)17-27-24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h2-16,20,29H,17-18H2,1H3
InChIKeyNXEXGQXQTZAQRP-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.11
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide (PubChem CID 135295627) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
PubChem CID135295627
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
SMILESCS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O2S/c1-31(30)28(26-16-8-10-19-9-2-3-11-21(19)26)18-20(29)17-27-24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h2-16,20,29H,17-18H2,1H3
InChIKeyNXEXGQXQTZAQRP-UHFFFAOYSA-N
XLogP5.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide (CID 135295627) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide is CS(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide?
The InChIKey is NXEXGQXQTZAQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-31(30)28(26-16-8-10-19-9-2-3-11-21(19)26)18-20(29)17-27-24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h2-16,20,29H,17-18H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide has a molecular weight of 428.56 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide is sourced from PubChem (CID 135295627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).