N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide

C128H126N16O22S5 — CID 159416765

IUPACN-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CN(c3ccncn3)C[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)cc1.Cc1ccc(S(=O)(=O)N[C@@H]2CN(c3ncccn3)C[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)cc1.Cc1ccc(S(=O)(=O)N[C@H]2COC[C@@H](n3c4ccccc4c4ccccc43)[C@@H]2O)cc1.Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)c1.Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)c1
InChIInChI=1S/2C28H27N5O4S.2C24H24N2O5S.C24H24N2O4S/c1-19-11-13-20(14-12-19)38(35,36)31-21-17-32(28-29-15-6-16-30-28)18-24(27(21)34)33-22-7-2-4-9-25(22)37-26-10-5-3-8-23(26)33;1-19-10-12-20(13-11-19)38(35,36)31-21-16-32(27-14-15-29-18-30-27)17-24(28(21)34)33-22-6-2-4-8-25(22)37-26-9-5-3-7-23(26)33;2*1-16-7-6-8-17(13-16)32(28,29)25-18-14-30-15-21(24(18)27)26-19-9-2-4-11-22(19)31-23-12-5-3-10-20(23)26;1-16-10-12-17(13-11-16)31(28,29)25-20-14-30-15-23(24(20)27)26-21-8-4-2-6-18(21)19-7-3-5-9-22(19)26/h2-16,21,24,27,31,34H,17-18H2,1H3;2-15,18,21,24,28,31,34H,16-17H2,1H3;2*2-13,18,21,24-25,27H,14-15H2,1H3;2-13,20,23-25,27H,14-15H2,1H3/t21-,24+,27+;21-,24+,28+;2*18-,21+,24+;20-,23+,24+/m11110/s1
InChIKeyLPGJZOAPIQUKNJ-JWUWSIOMSA-N
MW2400.84 g/mol
LogP17.32
Rot. Bonds22

About N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide

N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 159416765) has the molecular formula C128H126N16O22S5 and a molecular weight of 2400.84 g/mol. Its IUPAC name is N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide
PubChem CID159416765
Molecular FormulaC128H126N16O22S5
Molecular Weight2400.84 g/mol
Exact Mass2398.78
IUPAC NameN-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CN(c3ccncn3)C[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)cc1.Cc1ccc(S(=O)(=O)N[C@@H]2CN(c3ncccn3)C[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)cc1.Cc1ccc(S(=O)(=O)N[C@H]2COC[C@@H](n3c4ccccc4c4ccccc43)[C@@H]2O)cc1.Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)c1.Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)c1
InChIInChI=1S/2C28H27N5O4S.2C24H24N2O5S.C24H24N2O4S/c1-19-11-13-20(14-12-19)38(35,36)31-21-17-32(28-29-15-6-16-30-28)18-24(27(21)34)33-22-7-2-4-9-25(22)37-26-10-5-3-8-23(26)33;1-19-10-12-20(13-11-19)38(35,36)31-21-16-32(27-14-15-29-18-30-27)17-24(28(21)34)33-22-6-2-4-8-25(22)37-26-9-5-3-7-23(26)33;2*1-16-7-6-8-17(13-16)32(28,29)25-18-14-30-15-21(24(18)27)26-19-9-2-4-11-22(19)31-23-12-5-3-10-20(23)26;1-16-10-12-17(13-11-16)31(28,29)25-20-14-30-15-23(24(20)27)26-21-8-4-2-6-18(21)19-7-3-5-9-22(19)26/h2-16,21,24,27,31,34H,17-18H2,1H3;2-15,18,21,24,28,31,34H,16-17H2,1H3;2*2-13,18,21,24-25,27H,14-15H2,1H3;2-13,20,23-25,27H,14-15H2,1H3/t21-,24+,27+;21-,24+,28+;2*18-,21+,24+;20-,23+,24+/m11110/s1
InChIKeyLPGJZOAPIQUKNJ-JWUWSIOMSA-N
XLogP17.32
TPSA472.54 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002400.84
LogP ≤ 517.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide
CID 159416768
N-[(1R,2R,3S)-3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]benzenesulfonamide;N-[(1S,2S,3R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;tetrakis(N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide);N-[(1R,2R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide;N-[(1S,2S,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide;N-[(1S,2S,3R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 161192214
4-amino-N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]benzenesulfonamide
CID 126673697
N-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571
N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
CID 126690427
N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-phenylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905174
(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
CID 163491598
N-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-propanoylbenzenesulfonamide
CID 155077305
N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 155084059
(3S,4S,5R)-3-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592570
N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126694177
methyl (3S,4R,5R)-4-hydroxy-3-phenoxazin-10-yl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673519

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide (CID 159416765) is N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CN(c3ccncn3)C[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)cc1.Cc1ccc(S(=O)(=O)N[C@@H]2CN(c3ncccn3)C[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)cc1.Cc1ccc(S(=O)(=O)N[C@H]2COC[C@@H](n3c4ccccc4c4ccccc43)[C@@H]2O)cc1.Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)c1.Cc1cccc(S(=O)(=O)N[C@@H]2COC[C@H](N3c4ccccc4Oc4ccccc43)[C@H]2O)c1.
What is the InChIKey of N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is LPGJZOAPIQUKNJ-JWUWSIOMSA-N. The full InChI is InChI=1S/2C28H27N5O4S.2C24H24N2O5S.C24H24N2O4S/c1-19-11-13-20(14-12-19)38(35,36)31-21-17-32(28-29-15-6-16-30-28)18-24(27(21)34)33-22-7-2-4-9-25(22)37-26-10-5-3-8-23(26)33;1-19-10-12-20(13-11-19)38(35,36)31-21-16-32(27-14-15-29-18-30-27)17-24(28(21)34)33-22-6-2-4-8-25(22)37-26-9-5-3-7-23(26)33;2*1-16-7-6-8-17(13-16)32(28,29)25-18-14-30-15-21(24(18)27)26-19-9-2-4-11-22(19)31-23-12-5-3-10-20(23)26;1-16-10-12-17(13-11-16)31(28,29)25-20-14-30-15-23(24(20)27)26-21-8-4-2-6-18(21)19-7-3-5-9-22(19)26/h2-16,21,24,27,31,34H,17-18H2,1H3;2-15,18,21,24,28,31,34H,16-17H2,1H3;2*2-13,18,21,24-25,27H,14-15H2,1H3;2-13,20,23-25,27H,14-15H2,1H3/t21-,24+,27+;21-,24+,28+;2*18-,21+,24+;20-,23+,24+/m11110/s1.
What are the key properties of N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide?
N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 2400.84 g/mol, XLogP of 17.32, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide;bis(N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-3-methylbenzenesulfonamide);N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-2-ylpiperidin-3-yl]-4-methylbenzenesulfonamide;N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-pyrimidin-4-ylpiperidin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 159416765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).