5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide

C13H16ClN3O2S2 — CID 35303507

IUPAC5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
SMILESCSc1ccc(CN(C)S(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C13H16ClN3O2S2/c1-16-9-15-13(12(16)14)21(18,19)17(2)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyORQDKLAUQRUMEM-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.62
Rot. Bonds5

About 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 35303507) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
PubChem CID35303507
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
SMILESCSc1ccc(CN(C)S(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C13H16ClN3O2S2/c1-16-9-15-13(12(16)14)21(18,19)17(2)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyORQDKLAUQRUMEM-UHFFFAOYSA-N
XLogP2.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide (CID 35303507) is 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide is CSc1ccc(CN(C)S(=O)(=O)c2ncn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is ORQDKLAUQRUMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-16-9-15-13(12(16)14)21(18,19)17(2)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 345.88 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 35303507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).