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

C19H26Cl2N4O2S — CID 118376576

IUPACN-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cnc(Cl)c3Cl)cc2)CC1
InChIInChI=1S/C19H26Cl2N4O2S/c1-13(2)28(26,27)24-16-5-3-14(4-6-16)11-22-15-7-9-17(10-8-15)25-12-23-18(20)19(25)21/h7-10,12-14,16,22,24H,3-6,11H2,1-2H3
InChIKeyUDKQKRCOZKSVAZ-UHFFFAOYSA-N
MW445.42 g/mol
LogP4.48
Rot. Bonds7

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

N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 118376576) has the molecular formula C19H26Cl2N4O2S and a molecular weight of 445.42 g/mol. Its IUPAC name is N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID118376576
Molecular FormulaC19H26Cl2N4O2S
Molecular Weight445.42 g/mol
Exact Mass444.12
IUPAC NameN-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3cnc(Cl)c3Cl)cc2)CC1
InChIInChI=1S/C19H26Cl2N4O2S/c1-13(2)28(26,27)24-16-5-3-14(4-6-16)11-22-15-7-9-17(10-8-15)25-12-23-18(20)19(25)21/h7-10,12-14,16,22,24H,3-6,11H2,1-2H3
InChIKeyUDKQKRCOZKSVAZ-UHFFFAOYSA-N
XLogP4.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.48
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]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 118376576) is N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CC(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]propane-2-sulfonamide?
The InChIKey is UDKQKRCOZKSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O2S/c1-13(2)28(26,27)24-16-5-3-14(4-6-16)11-22-15-7-9-17(10-8-15)25-12-23-18(20)19(25)21/h7-10,12-14,16,22,24H,3-6,11H2,1-2H3.
What are the key properties of N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 445.42 g/mol, XLogP of 4.48, 7 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]propane-2-sulfonamide is sourced from PubChem (CID 118376576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).