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

C24H21N3O4S — CID 25118880

IUPACN-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide
SMILESO=C(NO)C1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O4S/c28-24(26-29)23-22-20(19-8-4-5-9-21(19)25-22)14-15-27(23)32(30,31)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,23,25,29H,14-15H2,(H,26,28)
InChIKeyJQONVEUTRDXNSQ-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.63
Rot. Bonds4

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

N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide (PubChem CID 25118880) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide
PubChem CID25118880
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide
SMILESO=C(NO)C1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O4S/c28-24(26-29)23-22-20(19-8-4-5-9-21(19)25-22)14-15-27(23)32(30,31)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,23,25,29H,14-15H2,(H,26,28)
InChIKeyJQONVEUTRDXNSQ-UHFFFAOYSA-N
XLogP3.63
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 25118876
(1S)-1-methyl-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 95988361
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
1,3,4,9-tetrahydropyrido[3,4-b]indole-1,2-dicarboxylic acid
CID 90810083
1-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102267222
N,N-diethyl-4-[(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)sulfonyl]benzenesulfonamide
CID 23820201
(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 57384091
2-(3,4-dimethylphenyl)sulfonyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 46328289
(1S)-1-(4-chlorophenyl)-2-(4-propan-2-ylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 92870612
propan-2-yl N-[4-[4-[[1-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]phenyl]carbamate
CID 90726502
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 152761174

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide (CID 25118880) is N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide is O=C(NO)C1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide?
The InChIKey is JQONVEUTRDXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c28-24(26-29)23-22-20(19-8-4-5-9-21(19)25-22)14-15-27(23)32(30,31)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,23,25,29H,14-15H2,(H,26,28).
What are the key properties of N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide?
N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 25118880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).