N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C22H17FN4O5S — CID 3894812

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c2)cc1
InChIInChI=1S/C22H17FN4O5S/c1-32-16-8-6-15(7-9-16)27-33(30,31)17-4-2-3-13(11-17)21(28)26-25-20-18-12-14(23)5-10-19(18)24-22(20)29/h2-12,24,27,29H,1H3/b26-25+
InChIKeyMQUUMTLOAFHPOB-OCEACIFDSA-N
MW468.47 g/mol
LogP4.75
Rot. Bonds6

About N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 3894812) has the molecular formula C22H17FN4O5S and a molecular weight of 468.47 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID3894812
Molecular FormulaC22H17FN4O5S
Molecular Weight468.47 g/mol
Exact Mass468.09
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c2)cc1
InChIInChI=1S/C22H17FN4O5S/c1-32-16-8-6-15(7-9-16)27-33(30,31)17-4-2-3-13(11-17)21(28)26-25-20-18-12-14(23)5-10-19(18)24-22(20)29/h2-12,24,27,29H,1H3/b26-25+
InChIKeyMQUUMTLOAFHPOB-OCEACIFDSA-N
XLogP4.75
TPSA133.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 3894812) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c2)cc1.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is MQUUMTLOAFHPOB-OCEACIFDSA-N. The full InChI is InChI=1S/C22H17FN4O5S/c1-32-16-8-6-15(7-9-16)27-33(30,31)17-4-2-3-13(11-17)21(28)26-25-20-18-12-14(23)5-10-19(18)24-22(20)29/h2-12,24,27,29H,1H3/b26-25+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 468.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3894812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).