(3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

C24H21N3O5S — CID 10766518

IUPAC(3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NO)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O5S/c28-24(26-29)23-14-20-19-8-4-5-9-21(19)25-22(20)15-27(23)33(30,31)18-12-10-17(11-13-18)32-16-6-2-1-3-7-16/h1-13,23,25,29H,14-15H2,(H,26,28)/t23-/m1/s1
InChIKeyOREVCDGKIGJEIW-HSZRJFAPSA-N
MW463.52 g/mol
LogP3.58
Rot. Bonds5

About (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

(3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide (PubChem CID 10766518) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
PubChem CID10766518
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name(3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NO)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O5S/c28-24(26-29)23-14-20-19-8-4-5-9-21(19)25-22(20)15-27(23)33(30,31)18-12-10-17(11-13-18)32-16-6-2-1-3-7-16/h1-13,23,25,29H,14-15H2,(H,26,28)/t23-/m1/s1
InChIKeyOREVCDGKIGJEIW-HSZRJFAPSA-N
XLogP3.58
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide (CID 10766518) is (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide is O=C(NO)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The InChIKey is OREVCDGKIGJEIW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H21N3O5S/c28-24(26-29)23-14-20-19-8-4-5-9-21(19)25-22(20)15-27(23)33(30,31)18-12-10-17(11-13-18)32-16-6-2-1-3-7-16/h1-13,23,25,29H,14-15H2,(H,26,28)/t23-/m1/s1.
What are the key properties of (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
(3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 10766518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).