N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide

C17H16N4O5S — CID 165430371

IUPACN-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide
SMILESCOc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(C)(=O)=O)cc3)c2c1
InChIInChI=1S/C17H16N4O5S/c1-26-12-7-8-14-13(9-12)15(17(23)18-14)19-20-16(22)10-3-5-11(6-4-10)21-27(2,24)25/h3-9,18,21,23H,1-2H3/b20-19+
InChIKeySXADSXMQFPWKQQ-FMQUCBEESA-N
MW388.41 g/mol
LogP3.18
Rot. Bonds5

About N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide

N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide (PubChem CID 165430371) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide
PubChem CID165430371
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC NameN-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide
SMILESCOc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(C)(=O)=O)cc3)c2c1
InChIInChI=1S/C17H16N4O5S/c1-26-12-7-8-14-13(9-12)15(17(23)18-14)19-20-16(22)10-3-5-11(6-4-10)21-27(2,24)25/h3-9,18,21,23H,1-2H3/b20-19+
InChIKeySXADSXMQFPWKQQ-FMQUCBEESA-N
XLogP3.18
TPSA133.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.18
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-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide (CID 165430371) is N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide is COc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(C)(=O)=O)cc3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide?
The InChIKey is SXADSXMQFPWKQQ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-26-12-7-8-14-13(9-12)15(17(23)18-14)19-20-16(22)10-3-5-11(6-4-10)21-27(2,24)25/h3-9,18,21,23H,1-2H3/b20-19+.
What are the key properties of N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide?
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide has a molecular weight of 388.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 165430371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).