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

C13H17N3O3S2 — CID 4533272

IUPACN,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide
SMILESCSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17N3O3S2/c1-15(2)21(18,19)11-6-4-10(5-7-11)12(17)16-9-8-14-13(16)20-3/h4-7H,8-9H2,1-3H3
InChIKeyHMLLTMGFZBNNCD-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.11
Rot. Bonds3

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

N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide (PubChem CID 4533272) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide
PubChem CID4533272
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide
SMILESCSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17N3O3S2/c1-15(2)21(18,19)11-6-4-10(5-7-11)12(17)16-9-8-14-13(16)20-3/h4-7H,8-9H2,1-3H3
InChIKeyHMLLTMGFZBNNCD-UHFFFAOYSA-N
XLogP1.11
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide (CID 4533272) is N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide is CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
The InChIKey is HMLLTMGFZBNNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-15(2)21(18,19)11-6-4-10(5-7-11)12(17)16-9-8-14-13(16)20-3/h4-7H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylsulfanyl-4,5-dihydroimidazole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4533272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).