N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide

C27H24N2O3S — CID 2908418

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h1-18,22,30H,19-20H2
InChIKeyXXXXUNMGBLAEHU-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.05
Rot. Bonds7

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide (PubChem CID 2908418) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide
PubChem CID2908418
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h1-18,22,30H,19-20H2
InChIKeyXXXXUNMGBLAEHU-UHFFFAOYSA-N
XLogP5.05
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.05
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-phenylbenzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide (CID 2908418) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide?
The InChIKey is XXXXUNMGBLAEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c30-22(19-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28)20-29(21-11-3-1-4-12-21)33(31,32)23-13-5-2-6-14-23/h1-18,22,30H,19-20H2.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylbenzenesulfonamide has a molecular weight of 456.57 g/mol, XLogP of 5.05, 7 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-phenylbenzenesulfonamide is sourced from PubChem (CID 2908418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).