2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide

C14H19FN2O2S2 — CID 63288656

IUPAC2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
SMILESCC1(NS(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCCCC1
InChIInChI=1S/C14H19FN2O2S2/c1-14(7-3-2-4-8-14)17-21(18,19)10-5-6-12(15)11(9-10)13(16)20/h5-6,9,17H,2-4,7-8H2,1H3,(H2,16,20)
InChIKeyCSYOXVQDVJLAJT-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.46
Rot. Bonds4

About 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide

2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide (PubChem CID 63288656) has the molecular formula C14H19FN2O2S2 and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
PubChem CID63288656
Molecular FormulaC14H19FN2O2S2
Molecular Weight330.45 g/mol
Exact Mass330.09
IUPAC Name2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
SMILESCC1(NS(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCCCC1
InChIInChI=1S/C14H19FN2O2S2/c1-14(7-3-2-4-8-14)17-21(18,19)10-5-6-12(15)11(9-10)13(16)20/h5-6,9,17H,2-4,7-8H2,1H3,(H2,16,20)
InChIKeyCSYOXVQDVJLAJT-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,2-dimethylcyclopentyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 79871093
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
3-[(1-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113485525
1-[(3,4-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61123074
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide
CID 169187237
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide
CID 169187126
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
2-fluoro-5-(2-pyrrolidin-1-ylethylsulfamoyl)benzenecarbothioamide
CID 63289015

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide (CID 63288656) is 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide is CC1(NS(=O)(=O)c2ccc(F)c(C(N)=S)c2)CCCCC1.
What is the InChIKey of 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is CSYOXVQDVJLAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S2/c1-14(7-3-2-4-8-14)17-21(18,19)10-5-6-12(15)11(9-10)13(16)20/h5-6,9,17H,2-4,7-8H2,1H3,(H2,16,20).
What are the key properties of 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide?
2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 330.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 63288656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).