N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

C23H18Cl2N4O4S — CID 2390603

IUPACN-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=N/c3c(O)[nH]c4c(Cl)cc(Cl)cc34)c2)c(C)c1
InChIInChI=1S/C23H18Cl2N4O4S/c1-12-6-7-19(13(2)8-12)29-34(32,33)16-5-3-4-14(9-16)22(30)28-27-21-17-10-15(24)11-18(25)20(17)26-23(21)31/h3-11,26,29,31H,1-2H3/b28-27+
InChIKeyQJNCKEMNYMFWMS-BYYHNAKLSA-N
MW517.39 g/mol
LogP6.52
Rot. Bonds5

About N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 2390603) has the molecular formula C23H18Cl2N4O4S and a molecular weight of 517.39 g/mol. Its IUPAC name is N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID2390603
Molecular FormulaC23H18Cl2N4O4S
Molecular Weight517.39 g/mol
Exact Mass516.04
IUPAC NameN-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=N/c3c(O)[nH]c4c(Cl)cc(Cl)cc34)c2)c(C)c1
InChIInChI=1S/C23H18Cl2N4O4S/c1-12-6-7-19(13(2)8-12)29-34(32,33)16-5-3-4-14(9-16)22(30)28-27-21-17-10-15(24)11-18(25)20(17)26-23(21)31/h3-11,26,29,31H,1-2H3/b28-27+
InChIKeyQJNCKEMNYMFWMS-BYYHNAKLSA-N
XLogP6.52
TPSA123.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.39
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3880557
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 3652547
N-[4-(benzenesulfonamido)-1-hydroxynaphthalen-2-yl]imino-3-chlorobenzamide
CID 5089017
N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3889183
N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6274738
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 2692226

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 2390603) is N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=N/c3c(O)[nH]c4c(Cl)cc(Cl)cc34)c2)c(C)c1.
What is the InChIKey of N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is QJNCKEMNYMFWMS-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4S/c1-12-6-7-19(13(2)8-12)29-34(32,33)16-5-3-4-14(9-16)22(30)28-27-21-17-10-15(24)11-18(25)20(17)26-23(21)31/h3-11,26,29,31H,1-2H3/b28-27+.
What are the key properties of N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 517.39 g/mol, XLogP of 6.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2390603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).