N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C20H28Cl2N4O2S — CID 70938882

IUPACN-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cnc(Cl)c3Cl)cc2)CC1
InChIInChI=1S/C20H28Cl2N4O2S/c1-20(2,3)29(27,28)25-16-6-4-14(5-7-16)12-23-15-8-10-17(11-9-15)26-13-24-18(21)19(26)22/h8-11,13-14,16,23,25H,4-7,12H2,1-3H3
InChIKeyWADVKSMYJUHOFH-UHFFFAOYSA-N
MW459.44 g/mol
LogP4.87
Rot. Bonds6

About N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70938882) has the molecular formula C20H28Cl2N4O2S and a molecular weight of 459.44 g/mol. Its IUPAC name is N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70938882
Molecular FormulaC20H28Cl2N4O2S
Molecular Weight459.44 g/mol
Exact Mass458.13
IUPAC NameN-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cnc(Cl)c3Cl)cc2)CC1
InChIInChI=1S/C20H28Cl2N4O2S/c1-20(2,3)29(27,28)25-16-6-4-14(5-7-16)12-23-15-8-10-17(11-9-15)26-13-24-18(21)19(26)22/h8-11,13-14,16,23,25H,4-7,12H2,1-3H3
InChIKeyWADVKSMYJUHOFH-UHFFFAOYSA-N
XLogP4.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70938882) is N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cnc(Cl)c3Cl)cc2)CC1.
What is the InChIKey of N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is WADVKSMYJUHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N4O2S/c1-20(2,3)29(27,28)25-16-6-4-14(5-7-16)12-23-15-8-10-17(11-9-15)26-13-24-18(21)19(26)22/h8-11,13-14,16,23,25H,4-7,12H2,1-3H3.
What are the key properties of N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 459.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70938882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).