1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide

C19H20ClN3O2S — CID 71789034

IUPAC1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C19H20ClN3O2S/c20-18-10-5-4-9-17(18)15-26(24,25)22-11-6-13-23-14-12-21-19(23)16-7-2-1-3-8-16/h1-5,7-10,12,14,22H,6,11,13,15H2
InChIKeyKQDKZLZTOMBYLW-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.71
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide

1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide (PubChem CID 71789034) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide
PubChem CID71789034
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C19H20ClN3O2S/c20-18-10-5-4-9-17(18)15-26(24,25)22-11-6-13-23-14-12-21-19(23)16-7-2-1-3-8-16/h1-5,7-10,12,14,22H,6,11,13,15H2
InChIKeyKQDKZLZTOMBYLW-UHFFFAOYSA-N
XLogP3.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.71
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-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide (CID 71789034) is 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCCn1ccnc1-c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide?
The InChIKey is KQDKZLZTOMBYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-18-10-5-4-9-17(18)15-26(24,25)22-11-6-13-23-14-12-21-19(23)16-7-2-1-3-8-16/h1-5,7-10,12,14,22H,6,11,13,15H2.
What are the key properties of 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-(2-phenylimidazol-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 71789034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).