[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea

C12H12N4O2S2 — CID 87842258

IUPAC[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C12H12N4O2S2/c13-12(19)15-9-4-6-10(7-5-9)20(17,18)16-11-3-1-2-8-14-11/h1-8H,(H,14,16)(H3,13,15,19)
InChIKeyIDFGBGIHASXKFJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.54
Rot. Bonds4

About [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea

[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea (PubChem CID 87842258) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
PubChem CID87842258
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C12H12N4O2S2/c13-12(19)15-9-4-6-10(7-5-9)20(17,18)16-11-3-1-2-8-14-11/h1-8H,(H,14,16)(H3,13,15,19)
InChIKeyIDFGBGIHASXKFJ-UHFFFAOYSA-N
XLogP1.54
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea?
The IUPAC name of [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea (CID 87842258) is [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea?
The canonical SMILES for [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea is NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea?
The InChIKey is IDFGBGIHASXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c13-12(19)15-9-4-6-10(7-5-9)20(17,18)16-11-3-1-2-8-14-11/h1-8H,(H,14,16)(H3,13,15,19).
What are the key properties of [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea?
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea has a molecular weight of 308.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-2-ylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 87842258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).