4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide

C23H23BrN2O4S — CID 1296457

IUPAC4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CCO)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23BrN2O4S/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/t18-/m0/s1
InChIKeyNYNSZUCKHYIRQF-SFHVURJKSA-N
MW503.42 g/mol
LogP3.60
Rot. Bonds8

About 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide

4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 1296457) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID1296457
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC Name4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CCO)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23BrN2O4S/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/t18-/m0/s1
InChIKeyNYNSZUCKHYIRQF-SFHVURJKSA-N
XLogP3.60
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 4282252
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
N-[3-(3-formylindol-1-yl)-2-hydroxypropyl]-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 18560750
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3125893

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 1296457) is 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1)N(CCO)C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is NYNSZUCKHYIRQF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/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/t18-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 503.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 1296457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).