N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C23H23FN2O4S — CID 2938841

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCO)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23FN2O4S/c24-17-9-11-19(12-10-17)31(29,30)25(13-14-27)15-18(28)16-26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26/h1-12,18,27-28H,13-16H2
InChIKeyDWAPVFVWQMMKKT-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.98
Rot. Bonds8

About N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 2938841) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID2938841
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCO)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23FN2O4S/c24-17-9-11-19(12-10-17)31(29,30)25(13-14-27)15-18(28)16-26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26/h1-12,18,27-28H,13-16H2
InChIKeyDWAPVFVWQMMKKT-UHFFFAOYSA-N
XLogP2.98
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 2938841) is N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(CCO)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is DWAPVFVWQMMKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c24-17-9-11-19(12-10-17)31(29,30)25(13-14-27)15-18(28)16-26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26/h1-12,18,27-28H,13-16H2.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 442.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 2938841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).