N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide

C22H25ClN2O3S — CID 169022571

IUPACN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1
InChIInChI=1S/C22H25ClN2O3S/c1-15(2)16-4-11-21(12-5-16)29(26,27)25-18-6-9-19(10-7-18)28-20-8-3-17(14-24)22(23)13-20/h3-5,8,11-13,15,18-19,25H,6-7,9-10H2,1-2H3
InChIKeyGXNLPMRJYXPJDX-UHFFFAOYSA-N
MW432.97 g/mol
LogP5.00
Rot. Bonds6

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 169022571) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID169022571
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1
InChIInChI=1S/C22H25ClN2O3S/c1-15(2)16-4-11-21(12-5-16)29(26,27)25-18-6-9-19(10-7-18)28-20-8-3-17(14-24)22(23)13-20/h3-5,8,11-13,15,18-19,25H,6-7,9-10H2,1-2H3
InChIKeyGXNLPMRJYXPJDX-UHFFFAOYSA-N
XLogP5.00
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.97
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
6-tert-butyl-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridine-3-carboxamide
CID 176795444
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide
CID 170390702
2-chloro-4-[(1R,3R)-3-methylcyclohexyl]oxybenzonitrile
CID 58587579
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
6-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3,4-dihydropyridazine-3-carboxamide
CID 171071519
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090
4-[4-(2-bromoacetyl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 134441275
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide (CID 169022571) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is GXNLPMRJYXPJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-15(2)16-4-11-21(12-5-16)29(26,27)25-18-6-9-19(10-7-18)28-20-8-3-17(14-24)22(23)13-20/h3-5,8,11-13,15,18-19,25H,6-7,9-10H2,1-2H3.
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 432.97 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 169022571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).