N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide

C15H21N3O3S2 — CID 3304200

IUPACN,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C15H21N3O3S2/c1-4-17(5-2)23(20,21)13-8-6-12(7-9-13)14(19)18-11-10-16-15(18)22-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOUHWNHUHPJBPNC-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.89
Rot. Bonds5

About N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide

N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide (PubChem CID 3304200) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide
PubChem CID3304200
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C15H21N3O3S2/c1-4-17(5-2)23(20,21)13-8-6-12(7-9-13)14(19)18-11-10-16-15(18)22-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOUHWNHUHPJBPNC-UHFFFAOYSA-N
XLogP1.89
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide (CID 3304200) is N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SC)cc1.
What is the InChIKey of N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
The InChIKey is OUHWNHUHPJBPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-4-17(5-2)23(20,21)13-8-6-12(7-9-13)14(19)18-11-10-16-15(18)22-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide has a molecular weight of 355.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 3304200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).