N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide

C19H28N2O2S — CID 18713902

IUPACN-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
SMILES[C-]#[N+]c1ccccc1C1CCC(C(C)CNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C19H28N2O2S/c1-14(2)24(22,23)21-13-15(3)16-9-11-17(12-10-16)18-7-5-6-8-19(18)20-4/h5-8,14-17,21H,9-13H2,1-3H3
InChIKeyDGAUHBOQRQBWCT-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.48
Rot. Bonds6

About N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide

N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide (PubChem CID 18713902) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
PubChem CID18713902
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
SMILES[C-]#[N+]c1ccccc1C1CCC(C(C)CNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C19H28N2O2S/c1-14(2)24(22,23)21-13-15(3)16-9-11-17(12-10-16)18-7-5-6-8-19(18)20-4/h5-8,14-17,21H,9-13H2,1-3H3
InChIKeyDGAUHBOQRQBWCT-UHFFFAOYSA-N
XLogP4.48
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
N-(2-amino-2-cyclopropylethyl)propane-2-sulfonamide
CID 63764902
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
2-chloro-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 115591341
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
CID 18713899
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide (CID 18713902) is N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide is [C-]#[N+]c1ccccc1C1CCC(C(C)CNS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
The InChIKey is DGAUHBOQRQBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14(2)24(22,23)21-13-15(3)16-9-11-17(12-10-16)18-7-5-6-8-19(18)20-4/h5-8,14-17,21H,9-13H2,1-3H3.
What are the key properties of N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide has a molecular weight of 348.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18713902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).