5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide

C10H8BrN3O2S3 — CID 106271635

IUPAC5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccncc2Br)s1
InChIInChI=1S/C10H8BrN3O2S3/c11-6-5-13-4-3-7(6)14-19(15,16)9-2-1-8(18-9)10(12)17/h1-5H,(H2,12,17)(H,13,14)
InChIKeyRKAJBKCEIAGQFZ-UHFFFAOYSA-N
MW378.30 g/mol
LogP2.34
Rot. Bonds4

About 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide

5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271635) has the molecular formula C10H8BrN3O2S3 and a molecular weight of 378.30 g/mol. Its IUPAC name is 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106271635
Molecular FormulaC10H8BrN3O2S3
Molecular Weight378.30 g/mol
Exact Mass376.90
IUPAC Name5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccncc2Br)s1
InChIInChI=1S/C10H8BrN3O2S3/c11-6-5-13-4-3-7(6)14-19(15,16)9-2-1-8(18-9)10(12)17/h1-5H,(H2,12,17)(H,13,14)
InChIKeyRKAJBKCEIAGQFZ-UHFFFAOYSA-N
XLogP2.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271772
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270396
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 83167503

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide (CID 106271635) is 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2ccncc2Br)s1.
What is the InChIKey of 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is RKAJBKCEIAGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S3/c11-6-5-13-4-3-7(6)14-19(15,16)9-2-1-8(18-9)10(12)17/h1-5H,(H2,12,17)(H,13,14).
What are the key properties of 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 378.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).