(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride

C71H74ClF6N9O12S2 — CID 160573165

IUPAC(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESCCN(CC)CC.N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1.O=S(=O)(NC1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O
InChIInChI=1S/C24H21F3N2O5S.C17H16N4O2.C17H18N2O2.C7H4ClF3O3S.C6H15N/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11;1-4-7(5-2)6-3/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,22H,9-10H2;1-8,13,16-17,20H,9-10,18H2;1-4H;4-6H2,1-3H3/t19?,22-,23-;2*13-,16+,17+;;/m011../s1
InChIKeyRAUMVFXOZQTTBJ-KVKDXEDFSA-N
MW1459.00 g/mol
LogP13.29
Rot. Bonds13

About (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride

(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 160573165) has the molecular formula C71H74ClF6N9O12S2 and a molecular weight of 1459.00 g/mol. Its IUPAC name is (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID160573165
Molecular FormulaC71H74ClF6N9O12S2
Molecular Weight1459.00 g/mol
Exact Mass1457.45
IUPAC Name(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESCCN(CC)CC.N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1.O=S(=O)(NC1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O
InChIInChI=1S/C24H21F3N2O5S.C17H16N4O2.C17H18N2O2.C7H4ClF3O3S.C6H15N/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11;1-4-7(5-2)6-3/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,22H,9-10H2;1-8,13,16-17,20H,9-10,18H2;1-4H;4-6H2,1-3H3/t19?,22-,23-;2*13-,16+,17+;;/m011../s1
InChIKeyRAUMVFXOZQTTBJ-KVKDXEDFSA-N
XLogP13.29
TPSA279.96 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001459.00
LogP ≤ 513.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride with MolForge

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Related Compounds

N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 118374169
N-[(1S,2S,3R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 118374184
N-[(1R,2R,3S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 118374208
N-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123592617
N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 123621586
N-[3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123788737
N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124192938
N-[(1R,2R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124192940
N-[(1R,2R)-3-carbazol-9-yl-2-hydroxycyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124192946
N-[(1R,2R,3S)-3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124192963
N-[(1S,2S,3R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124192964
N-[(1S,2S,3R)-3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124192972

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride (CID 160573165) is (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride is CCN(CC)CC.N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1.O=S(=O)(NC1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.
What is the InChIKey of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is RAUMVFXOZQTTBJ-KVKDXEDFSA-N. The full InChI is InChI=1S/C24H21F3N2O5S.C17H16N4O2.C17H18N2O2.C7H4ClF3O3S.C6H15N/c25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;18-20-19-13-9-23-10-16(17(13)22)21-14-7-3-1-5-11(14)12-6-2-4-8-15(12)21;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11;1-4-7(5-2)6-3/h1-12,19,22-23,28,30H,13-14H2;1-8,13,16-17,22H,9-10H2;1-8,13,16-17,20H,9-10,18H2;1-4H;4-6H2,1-3H3/t19?,22-,23-;2*13-,16+,17+;;/m011../s1.
What are the key properties of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride?
(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 1459.00 g/mol, XLogP of 13.29, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol;(3R,4R,5S)-3-azido-5-carbazol-9-yloxan-4-ol;N-[(4R,5S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 160573165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).