N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide

C24H22F2N2O4S — CID 159950269

IUPACN-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H](n3c4ccc(F)cc4c4cc(F)ccc43)[C@H]2O)cc1
InChIInChI=1S/C24H22F2N2O4S/c1-14-2-6-17(7-3-14)33(30,31)27-20-12-32-13-23(24(20)29)28-21-8-4-15(25)10-18(21)19-11-16(26)5-9-22(19)28/h2-11,20,23-24,27,29H,12-13H2,1H3/t20-,23+,24+/m1/s1
InChIKeyLEACEKXVALVPNX-QDSKXPNFSA-N
MW472.51 g/mol
LogP3.66
Rot. Bonds4

About N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide

N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide (PubChem CID 159950269) has the molecular formula C24H22F2N2O4S and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
PubChem CID159950269
Molecular FormulaC24H22F2N2O4S
Molecular Weight472.51 g/mol
Exact Mass472.13
IUPAC NameN-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H](n3c4ccc(F)cc4c4cc(F)ccc43)[C@H]2O)cc1
InChIInChI=1S/C24H22F2N2O4S/c1-14-2-6-17(7-3-14)33(30,31)27-20-12-32-13-23(24(20)29)28-21-8-4-15(25)10-18(21)19-11-16(26)5-9-22(19)28/h2-11,20,23-24,27,29H,12-13H2,1H3/t20-,23+,24+/m1/s1
InChIKeyLEACEKXVALVPNX-QDSKXPNFSA-N
XLogP3.66
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
CID 2953180
N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
CID 4467272
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 89897818
N-benzyl-N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 3122846
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
CID 2867399
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 2866682
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N,4-dimethylbenzenesulfonamide
CID 2870232
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 2908418
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-fluorophenyl)methanesulfonamide
CID 127036766
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide
CID 127037221
US10383880, Example 171
CID 72544223
1-(2,6-Difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
CID 72544447

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide (CID 159950269) is N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H](n3c4ccc(F)cc4c4cc(F)ccc43)[C@H]2O)cc1.
What is the InChIKey of N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is LEACEKXVALVPNX-QDSKXPNFSA-N. The full InChI is InChI=1S/C24H22F2N2O4S/c1-14-2-6-17(7-3-14)33(30,31)27-20-12-32-13-23(24(20)29)28-21-8-4-15(25)10-18(21)19-11-16(26)5-9-22(19)28/h2-11,20,23-24,27,29H,12-13H2,1H3/t20-,23+,24+/m1/s1.
What are the key properties of N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide?
N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 472.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 159950269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).