1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea

C16H15N5O3S2 — CID 137215388

IUPAC1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea
SMILESCn1c(O)c(/N=N/C(=S)Nc2cccc(S(N)(=O)=O)c2)c2ccccc21
InChIInChI=1S/C16H15N5O3S2/c1-21-13-8-3-2-7-12(13)14(15(21)22)19-20-16(25)18-10-5-4-6-11(9-10)26(17,23)24/h2-9,22H,1H3,(H,18,25)(H2,17,23,24)/b20-19+
InChIKeyRGNMIUGTROPMTR-FMQUCBEESA-N
MW389.46 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea

1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea (PubChem CID 137215388) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea
PubChem CID137215388
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea
SMILESCn1c(O)c(/N=N/C(=S)Nc2cccc(S(N)(=O)=O)c2)c2ccccc21
InChIInChI=1S/C16H15N5O3S2/c1-21-13-8-3-2-7-12(13)14(15(21)22)19-20-16(25)18-10-5-4-6-11(9-10)26(17,23)24/h2-9,22H,1H3,(H,18,25)(H2,17,23,24)/b20-19+
InChIKeyRGNMIUGTROPMTR-FMQUCBEESA-N
XLogP3.01
TPSA122.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.01
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea?
The IUPAC name of 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea (CID 137215388) is 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea is Cn1c(O)c(/N=N/C(=S)Nc2cccc(S(N)(=O)=O)c2)c2ccccc21.
What is the InChIKey of 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea?
The InChIKey is RGNMIUGTROPMTR-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15N5O3S2/c1-21-13-8-3-2-7-12(13)14(15(21)22)19-20-16(25)18-10-5-4-6-11(9-10)26(17,23)24/h2-9,22H,1H3,(H,18,25)(H2,17,23,24)/b20-19+.
What are the key properties of 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea?
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea has a molecular weight of 389.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea is sourced from PubChem (CID 137215388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).