1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea

C15H15FN4O3S2 — CID 9085389

IUPAC1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
SMILESCc1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15FN4O3S2/c1-9-2-3-10(8-13(9)25(17,22)23)14(21)19-20-15(24)18-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,19,21)(H2,17,22,23)(H2,18,20,24)
InChIKeyCTEKDQIRIHRFBG-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea

1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea (PubChem CID 9085389) has the molecular formula C15H15FN4O3S2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
PubChem CID9085389
Molecular FormulaC15H15FN4O3S2
Molecular Weight382.44 g/mol
Exact Mass382.06
IUPAC Name1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
SMILESCc1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15FN4O3S2/c1-9-2-3-10(8-13(9)25(17,22)23)14(21)19-20-15(24)18-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,19,21)(H2,17,22,23)(H2,18,20,24)
InChIKeyCTEKDQIRIHRFBG-UHFFFAOYSA-N
XLogP1.41
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
1-(4-fluorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469568
2-methyl-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 9089044
N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
CID 9089681
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
CID 9086024
5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methylbenzenesulfonamide
CID 9084706
2-methyl-5-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9085464
4-fluoro-N-[(2S)-3-methyl-1-(4-methyl-3-sulfamoylanilino)-1-oxobutan-2-yl]benzamide
CID 9256983
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
1-(4-fluorophenyl)-3-[[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 18270236
4-tert-butyl-N-[4-[[(4-fluorobenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 5088860
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea (CID 9085389) is 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea is Cc1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea?
The InChIKey is CTEKDQIRIHRFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S2/c1-9-2-3-10(8-13(9)25(17,22)23)14(21)19-20-15(24)18-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,19,21)(H2,17,22,23)(H2,18,20,24).
What are the key properties of 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea?
1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea has a molecular weight of 382.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea is sourced from PubChem (CID 9085389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).