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

C23H24N2O3S — CID 2888179

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-11-13-18(14-12-17)25(29(2,27)28)16-19(26)15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,19,26H,15-16H2,1-2H3
InChIKeyPTHFXCLNLUOVBY-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.93
Rot. Bonds6

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

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide (PubChem CID 2888179) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide
PubChem CID2888179
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-11-13-18(14-12-17)25(29(2,27)28)16-19(26)15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,19,26H,15-16H2,1-2H3
InChIKeyPTHFXCLNLUOVBY-UHFFFAOYSA-N
XLogP3.93
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.93
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-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide (CID 2888179) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is PTHFXCLNLUOVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-11-13-18(14-12-17)25(29(2,27)28)16-19(26)15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,19,26H,15-16H2,1-2H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 3.93, 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-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 2888179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).