4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide

C15H13Cl2N3O2S — CID 118710119

IUPAC4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2N3O2S/c16-13-6-1-10(9-14(13)17)15-19-7-8-20(15)11-2-4-12(5-3-11)23(18,21)22/h1-6,9H,7-8H2,(H2,18,21,22)
InChIKeyQJQDLRKIAQUUHD-UHFFFAOYSA-N
MW370.26 g/mol
LogP2.91
Rot. Bonds3

About 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide

4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide (PubChem CID 118710119) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
PubChem CID118710119
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2N3O2S/c16-13-6-1-10(9-14(13)17)15-19-7-8-20(15)11-2-4-12(5-3-11)23(18,21)22/h1-6,9H,7-8H2,(H2,18,21,22)
InChIKeyQJQDLRKIAQUUHD-UHFFFAOYSA-N
XLogP2.91
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide (CID 118710119) is 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The InChIKey is QJQDLRKIAQUUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c16-13-6-1-10(9-14(13)17)15-19-7-8-20(15)11-2-4-12(5-3-11)23(18,21)22/h1-6,9H,7-8H2,(H2,18,21,22).
What are the key properties of 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide has a molecular weight of 370.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 118710119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).