N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide

C11H13N3O2S2 — CID 3730978

IUPACN,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1ccnc1Sc1ccccc1
InChIInChI=1S/C11H13N3O2S2/c1-13(2)18(15,16)14-9-8-12-11(14)17-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyWQLMJGKGGPPUHK-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.69
Rot. Bonds4

About N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide

N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide (PubChem CID 3730978) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide
PubChem CID3730978
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1ccnc1Sc1ccccc1
InChIInChI=1S/C11H13N3O2S2/c1-13(2)18(15,16)14-9-8-12-11(14)17-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyWQLMJGKGGPPUHK-UHFFFAOYSA-N
XLogP1.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide (CID 3730978) is N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1ccnc1Sc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide?
The InChIKey is WQLMJGKGGPPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-13(2)18(15,16)14-9-8-12-11(14)17-10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide?
N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylsulfanylimidazole-1-sulfonamide is sourced from PubChem (CID 3730978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).