N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

C24H22F3N3O4S — CID 126693704

IUPACN-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O4S/c25-24(26,27)34-15-9-11-16(12-10-15)35(32,33)29-19-13-28-14-22(23(19)31)30-20-7-3-1-5-17(20)18-6-2-4-8-21(18)30/h1-12,19,22-23,28-29,31H,13-14H2/t19-,22+,23+/m1/s1
InChIKeyVLDUJZQNWCYSTK-OIBXWCBGSA-N
MW505.52 g/mol
LogP3.55
Rot. Bonds5

About N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 126693704) has the molecular formula C24H22F3N3O4S and a molecular weight of 505.52 g/mol. Its IUPAC name is N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID126693704
Molecular FormulaC24H22F3N3O4S
Molecular Weight505.52 g/mol
Exact Mass505.13
IUPAC NameN-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O4S/c25-24(26,27)34-15-9-11-16(12-10-15)35(32,33)29-19-13-28-14-22(23(19)31)30-20-7-3-1-5-17(20)18-6-2-4-8-21(18)30/h1-12,19,22-23,28-29,31H,13-14H2/t19-,22+,23+/m1/s1
InChIKeyVLDUJZQNWCYSTK-OIBXWCBGSA-N
XLogP3.55
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 126693704) is N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(N[C@@H]1CNC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is VLDUJZQNWCYSTK-OIBXWCBGSA-N. The full InChI is InChI=1S/C24H22F3N3O4S/c25-24(26,27)34-15-9-11-16(12-10-15)35(32,33)29-19-13-28-14-22(23(19)31)30-20-7-3-1-5-17(20)18-6-2-4-8-21(18)30/h1-12,19,22-23,28-29,31H,13-14H2/t19-,22+,23+/m1/s1.
What are the key properties of N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 505.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 126693704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).