1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide

C14H17Cl2N3O2S — CID 75400418

IUPAC1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCCn1ccnc1
InChIInChI=1S/C14H17Cl2N3O2S/c15-13-7-12(8-14(16)9-13)10-22(20,21)18-3-1-2-5-19-6-4-17-11-19/h4,6-9,11,18H,1-3,5,10H2
InChIKeyYPSXDXZDDARIQZ-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.09
Rot. Bonds8

About 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide

1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide (PubChem CID 75400418) has the molecular formula C14H17Cl2N3O2S and a molecular weight of 362.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide
PubChem CID75400418
Molecular FormulaC14H17Cl2N3O2S
Molecular Weight362.28 g/mol
Exact Mass361.04
IUPAC Name1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCCn1ccnc1
InChIInChI=1S/C14H17Cl2N3O2S/c15-13-7-12(8-14(16)9-13)10-22(20,21)18-3-1-2-5-19-6-4-17-11-19/h4,6-9,11,18H,1-3,5,10H2
InChIKeyYPSXDXZDDARIQZ-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide (CID 75400418) is 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide is O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCCn1ccnc1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide?
The InChIKey is YPSXDXZDDARIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2S/c15-13-7-12(8-14(16)9-13)10-22(20,21)18-3-1-2-5-19-6-4-17-11-19/h4,6-9,11,18H,1-3,5,10H2.
What are the key properties of 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide?
1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide has a molecular weight of 362.28 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-(4-imidazol-1-ylbutyl)methanesulfonamide is sourced from PubChem (CID 75400418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).