N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide

C23H24N2O4S — CID 2888752

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-29-19-13-11-17(12-14-19)25(30(2,27)28)16-18(26)15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,18,26H,15-16H2,1-2H3
InChIKeyUUVGBZCAFLGQMI-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.63
Rot. Bonds7

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 2888752) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide
PubChem CID2888752
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-29-19-13-11-17(12-14-19)25(30(2,27)28)16-18(26)15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,18,26H,15-16H2,1-2H3
InChIKeyUUVGBZCAFLGQMI-UHFFFAOYSA-N
XLogP3.63
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide (CID 2888752) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is UUVGBZCAFLGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-29-19-13-11-17(12-14-19)25(30(2,27)28)16-18(26)15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,18,26H,15-16H2,1-2H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 3.63, 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-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 2888752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).