(4-sulfamoylanilino)thiourea

C7H10N4O2S2 — CID 2826112

IUPAC(4-sulfamoylanilino)thiourea
SMILESNC(=S)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N4O2S2/c8-7(14)11-10-5-1-3-6(4-2-5)15(9,12)13/h1-4,10H,(H3,8,11,14)(H2,9,12,13)
InChIKeyVPFNITBWKKKRLL-UHFFFAOYSA-N
MW246.32 g/mol
LogP-0.51
Rot. Bonds3

About (4-sulfamoylanilino)thiourea

(4-sulfamoylanilino)thiourea (PubChem CID 2826112) has the molecular formula C7H10N4O2S2 and a molecular weight of 246.32 g/mol. Its IUPAC name is (4-sulfamoylanilino)thiourea.

Molecular Properties

Compound Name(4-sulfamoylanilino)thiourea
PubChem CID2826112
Molecular FormulaC7H10N4O2S2
Molecular Weight246.32 g/mol
Exact Mass246.02
IUPAC Name(4-sulfamoylanilino)thiourea
SMILESNC(=S)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N4O2S2/c8-7(14)11-10-5-1-3-6(4-2-5)15(9,12)13/h1-4,10H,(H3,8,11,14)(H2,9,12,13)
InChIKeyVPFNITBWKKKRLL-UHFFFAOYSA-N
XLogP-0.51
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 5-0.51
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

2-amino-N-[2-oxo-2-[2-(4-sulfamoylphenyl)hydrazinyl]ethyl]acetamide
CID 10804238
1-(2,3,4,5,6-pentafluoroanilino)-3-(4-sulfamoylphenyl)thiourea
CID 11441308
N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide
CID 141091720
4-[2-(pyridine-3-carbonyl)hydrazinyl]benzenesulfonamide
CID 10661301
4-[(4-sulfamoylphenyl)methylamino]benzenecarbothioamide
CID 29295496
(4-sulfamoylanilino)azanium chloride
CID 2736519
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
potassium 4-(carbamothioylamino)benzenesulfonate
CID 119026270
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
(2S)-2-[4-(2-carbamothioylhydrazinyl)anilino]propanoic acid;trihydrochloride
CID 160795299
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
4-(2-naphthalen-1-ylhydrazinyl)benzenesulfonamide
CID 70469437

Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylanilino)thiourea?
The IUPAC name of (4-sulfamoylanilino)thiourea (CID 2826112) is (4-sulfamoylanilino)thiourea.
What is the SMILES notation for (4-sulfamoylanilino)thiourea?
The canonical SMILES for (4-sulfamoylanilino)thiourea is NC(=S)NNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (4-sulfamoylanilino)thiourea?
The InChIKey is VPFNITBWKKKRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S2/c8-7(14)11-10-5-1-3-6(4-2-5)15(9,12)13/h1-4,10H,(H3,8,11,14)(H2,9,12,13).
What are the key properties of (4-sulfamoylanilino)thiourea?
(4-sulfamoylanilino)thiourea has a molecular weight of 246.32 g/mol, XLogP of -0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylanilino)thiourea is sourced from PubChem (CID 2826112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).