N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide

C27H26N2O4S — CID 135284901

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1(C=O)C=CCc2ccccc21
InChIInChI=1S/C27H26N2O4S/c1-34(32,33)29(27(19-30)16-8-10-20-9-2-5-13-24(20)27)18-21(31)17-28-25-14-6-3-11-22(25)23-12-4-7-15-26(23)28/h2-9,11-16,19,21,31H,10,17-18H2,1H3
InChIKeyDTXCVJPABHKBOK-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.62
Rot. Bonds7

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide (PubChem CID 135284901) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide
PubChem CID135284901
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1(C=O)C=CCc2ccccc21
InChIInChI=1S/C27H26N2O4S/c1-34(32,33)29(27(19-30)16-8-10-20-9-2-5-13-24(20)27)18-21(31)17-28-25-14-6-3-11-22(25)23-12-4-7-15-26(23)28/h2-9,11-16,19,21,31H,10,17-18H2,1H3
InChIKeyDTXCVJPABHKBOK-UHFFFAOYSA-N
XLogP3.62
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide (CID 135284901) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1(C=O)C=CCc2ccccc21.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide?
The InChIKey is DTXCVJPABHKBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-34(32,33)29(27(19-30)16-8-10-20-9-2-5-13-24(20)27)18-21(31)17-28-25-14-6-3-11-22(25)23-12-4-7-15-26(23)28/h2-9,11-16,19,21,31H,10,17-18H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 3.62, 7 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-(1-formyl-4H-naphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 135284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).