5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide

C14H17FN2O2S2 — CID 64521555

IUPAC5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(S(=O)(=O)N(CC2CC2)C2CC2)ccc1F
InChIInChI=1S/C14H17FN2O2S2/c15-13-6-5-11(7-12(13)14(16)20)21(18,19)17(10-3-4-10)8-9-1-2-9/h5-7,9-10H,1-4,8H2,(H2,16,20)
InChIKeyGLIPNYJVIQVRHO-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.02
Rot. Bonds6

About 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide

5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide (PubChem CID 64521555) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
PubChem CID64521555
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(S(=O)(=O)N(CC2CC2)C2CC2)ccc1F
InChIInChI=1S/C14H17FN2O2S2/c15-13-6-5-11(7-12(13)14(16)20)21(18,19)17(10-3-4-10)8-9-1-2-9/h5-7,9-10H,1-4,8H2,(H2,16,20)
InChIKeyGLIPNYJVIQVRHO-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide?
The IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide (CID 64521555) is 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide.
What is the SMILES notation for 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide?
The canonical SMILES for 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide is NC(=S)c1cc(S(=O)(=O)N(CC2CC2)C2CC2)ccc1F.
What is the InChIKey of 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide?
The InChIKey is GLIPNYJVIQVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c15-13-6-5-11(7-12(13)14(16)20)21(18,19)17(10-3-4-10)8-9-1-2-9/h5-7,9-10H,1-4,8H2,(H2,16,20).
What are the key properties of 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide?
5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide has a molecular weight of 328.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide is sourced from PubChem (CID 64521555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).