N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

C23H24N2O3S — CID 2870232

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)15-18(26)16-25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25/h3-14,18,26H,15-16H2,1-2H3
InChIKeyKOWLVKPXBGSMLF-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.78
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 2870232) 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-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
PubChem CID2870232
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)15-18(26)16-25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25/h3-14,18,26H,15-16H2,1-2H3
InChIKeyKOWLVKPXBGSMLF-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (CID 2870232) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is KOWLVKPXBGSMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)15-18(26)16-25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25/h3-14,18,26H,15-16H2,1-2H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 3.78, 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-dimethylbenzenesulfonamide is sourced from PubChem (CID 2870232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).