N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide

C16H21Cl2N3O2S2 — CID 22130166

IUPACN-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide
SMILESCCn1c(CNS(C)(=O)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H21Cl2N3O2S2/c1-5-21-14(9-19-25(4,22)23)20-15(10(2)3)16(21)24-13-7-11(17)6-12(18)8-13/h6-8,10,19H,5,9H2,1-4H3
InChIKeyAZVXQUURPXAMOW-UHFFFAOYSA-N
MW422.40 g/mol
LogP4.53
Rot. Bonds7

About N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide

N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide (PubChem CID 22130166) has the molecular formula C16H21Cl2N3O2S2 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide
PubChem CID22130166
Molecular FormulaC16H21Cl2N3O2S2
Molecular Weight422.40 g/mol
Exact Mass421.05
IUPAC NameN-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide
SMILESCCn1c(CNS(C)(=O)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H21Cl2N3O2S2/c1-5-21-14(9-19-25(4,22)23)20-15(10(2)3)16(21)24-13-7-11(17)6-12(18)8-13/h6-8,10,19H,5,9H2,1-4H3
InChIKeyAZVXQUURPXAMOW-UHFFFAOYSA-N
XLogP4.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide (CID 22130166) is N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide is CCn1c(CNS(C)(=O)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide?
The InChIKey is AZVXQUURPXAMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2S2/c1-5-21-14(9-19-25(4,22)23)20-15(10(2)3)16(21)24-13-7-11(17)6-12(18)8-13/h6-8,10,19H,5,9H2,1-4H3.
What are the key properties of N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide?
N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide has a molecular weight of 422.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 22130166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).