[9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium

C56H45F2N6O10S2Y- — CID 157229710

IUPAC[9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium
SMILESCOC(=O)Cn1c2ccccc2c2cc(N)ccc21.COC(=O)Cn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.O=C(O)Cn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21.[Y]
InChIInChI=1S/C21H17FN2O4S.C20H14FN2O4S.C15H14N2O2.Y/c1-28-21(25)13-24-19-5-3-2-4-17(19)18-12-15(8-11-20(18)24)23-29(26,27)16-9-6-14(22)7-10-16;21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25;1-19-15(18)9-17-13-5-3-2-4-11(13)12-8-10(16)6-7-14(12)17;/h2-12,23H,13H2,1H3;1-11H,12H2,(H,24,25);2-8H,9,16H2,1H3;/q;-1;;
InChIKeyXBYNPVOMCMETTA-UHFFFAOYSA-N
MW1153.04 g/mol
LogP10.87
Rot. Bonds12

About [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium

[9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium (PubChem CID 157229710) has the molecular formula C56H45F2N6O10S2Y- and a molecular weight of 1153.04 g/mol. Its IUPAC name is [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium.

Molecular Properties

Compound Name[9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium
PubChem CID157229710
Molecular FormulaC56H45F2N6O10S2Y-
Molecular Weight1153.04 g/mol
Exact Mass1152.17
IUPAC Name[9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium
SMILESCOC(=O)Cn1c2ccccc2c2cc(N)ccc21.COC(=O)Cn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.O=C(O)Cn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21.[Y]
InChIInChI=1S/C21H17FN2O4S.C20H14FN2O4S.C15H14N2O2.Y/c1-28-21(25)13-24-19-5-3-2-4-17(19)18-12-15(8-11-20(18)24)23-29(26,27)16-9-6-14(22)7-10-16;21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25;1-19-15(18)9-17-13-5-3-2-4-11(13)12-8-10(16)6-7-14(12)17;/h2-12,23H,13H2,1H3;1-11H,12H2,(H,24,25);2-8H,9,16H2,1H3;/q;-1;;
InChIKeyXBYNPVOMCMETTA-UHFFFAOYSA-N
XLogP10.87
TPSA225.12 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.04
LogP ≤ 510.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium with MolForge

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Related Compounds

methyl 2-[6-fluoro-2-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121042127
methyl 2-carbazol-9-ylacetate
CID 3745219
methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate
CID 69397818
N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
CID 1048274
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
aniline;methyl 2-[5-fluoro-2-methyl-3-[[2-(phenylsulfamoyl)phenyl]methyl]indol-1-yl]acetate
CID 158365819
methyl 2-[2-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
CID 121044555
ethyl 2-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 121044545
methyl 2-[2-[3-(benzenesulfonamido)benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetate
CID 121041738
methyl 2-[2-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 121044637
3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid
CID 18926585
methyl 2-[2-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 121042205

Frequently Asked Questions

What is the IUPAC name of [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium?
The IUPAC name of [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium (CID 157229710) is [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium.
What is the SMILES notation for [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium?
The canonical SMILES for [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium is COC(=O)Cn1c2ccccc2c2cc(N)ccc21.COC(=O)Cn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.O=C(O)Cn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21.[Y].
What is the InChIKey of [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium?
The InChIKey is XBYNPVOMCMETTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4S.C20H14FN2O4S.C15H14N2O2.Y/c1-28-21(25)13-24-19-5-3-2-4-17(19)18-12-15(8-11-20(18)24)23-29(26,27)16-9-6-14(22)7-10-16;21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25;1-19-15(18)9-17-13-5-3-2-4-11(13)12-8-10(16)6-7-14(12)17;/h2-12,23H,13H2,1H3;1-11H,12H2,(H,24,25);2-8H,9,16H2,1H3;/q;-1;;.
What are the key properties of [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium?
[9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium has a molecular weight of 1153.04 g/mol, XLogP of 10.87, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(carboxymethyl)carbazol-3-yl]-(4-fluorophenyl)sulfonylazanide;methyl 2-(3-aminocarbazol-9-yl)acetate;methyl 2-[3-[(4-fluorophenyl)sulfonylamino]carbazol-9-yl]acetate;yttrium is sourced from PubChem (CID 157229710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).