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

C26H24N2O3S — CID 3738563

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O3S/c1-32(30,31)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
InChIKeyNCNXKHROOPHKLM-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.77
Rot. Bonds6

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

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide (PubChem CID 3738563) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide
PubChem CID3738563
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O3S/c1-32(30,31)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
InChIKeyNCNXKHROOPHKLM-UHFFFAOYSA-N
XLogP4.77
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.77
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-naphthalen-1-ylmethanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide (CID 3738563) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide?
The InChIKey is NCNXKHROOPHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-32(30,31)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-ylmethanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 4.77, 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-naphthalen-1-ylmethanesulfonamide is sourced from PubChem (CID 3738563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).