[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea

C13H12FN3O2S2 — CID 169358585

IUPAC[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C13H12FN3O2S2/c14-11-3-1-2-4-12(11)17-21(18,19)10-7-5-9(6-8-10)16-13(15)20/h1-8,17H,(H3,15,16,20)
InChIKeyKSWBJJUSQOKYDV-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.28
Rot. Bonds4

About [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea

[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea (PubChem CID 169358585) has the molecular formula C13H12FN3O2S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea
PubChem CID169358585
Molecular FormulaC13H12FN3O2S2
Molecular Weight325.39 g/mol
Exact Mass325.04
IUPAC Name[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C13H12FN3O2S2/c14-11-3-1-2-4-12(11)17-21(18,19)10-7-5-9(6-8-10)16-13(15)20/h1-8,17H,(H3,15,16,20)
InChIKeyKSWBJJUSQOKYDV-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 36525049
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56573065
potassium 4-(carbamothioylamino)benzenesulfonate
CID 119026270
1-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-(4-sulfamoylphenyl)thiourea
CID 19678782
4-[(2-fluorophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 4801926
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31855089
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea (CID 169358585) is [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea is NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is KSWBJJUSQOKYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S2/c14-11-3-1-2-4-12(11)17-21(18,19)10-7-5-9(6-8-10)16-13(15)20/h1-8,17H,(H3,15,16,20).
What are the key properties of [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea?
[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 325.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 169358585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).