N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide

C24H21F3N2O4S — CID 118374169

IUPACN-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H21F3N2O4S/c25-24(26,27)33-15-9-11-16(12-10-15)34(31,32)28-19-13-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29/h1-12,19,22-23,28,30H,13-14H2/t19-,22+,23+/m1/s1
InChIKeyBHKKAEMBKJEYKE-OIBXWCBGSA-N
MW490.50 g/mol
LogP4.74
Rot. Bonds5

About N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 118374169) has the molecular formula C24H21F3N2O4S and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID118374169
Molecular FormulaC24H21F3N2O4S
Molecular Weight490.50 g/mol
Exact Mass490.12
IUPAC NameN-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H21F3N2O4S/c25-24(26,27)33-15-9-11-16(12-10-15)34(31,32)28-19-13-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29/h1-12,19,22-23,28,30H,13-14H2/t19-,22+,23+/m1/s1
InChIKeyBHKKAEMBKJEYKE-OIBXWCBGSA-N
XLogP4.74
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 118374169) is N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(N[C@@H]1CC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BHKKAEMBKJEYKE-OIBXWCBGSA-N. The full InChI is InChI=1S/C24H21F3N2O4S/c25-24(26,27)33-15-9-11-16(12-10-15)34(31,32)28-19-13-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29/h1-12,19,22-23,28,30H,13-14H2/t19-,22+,23+/m1/s1.
What are the key properties of N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 490.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 118374169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).