5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide

C9H11ClN4O3S — CID 113247365

IUPAC5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ncn(C)c2Cl)o1
InChIInChI=1S/C9H11ClN4O3S/c1-6-3-11-7(17-6)4-13-18(15,16)9-8(10)14(2)5-12-9/h3,5,13H,4H2,1-2H3
InChIKeyLSEFEFXTEHGMND-UHFFFAOYSA-N
MW290.73 g/mol
LogP0.85
Rot. Bonds4

About 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 113247365) has the molecular formula C9H11ClN4O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID113247365
Molecular FormulaC9H11ClN4O3S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ncn(C)c2Cl)o1
InChIInChI=1S/C9H11ClN4O3S/c1-6-3-11-7(17-6)4-13-18(15,16)9-8(10)14(2)5-12-9/h3,5,13H,4H2,1-2H3
InChIKeyLSEFEFXTEHGMND-UHFFFAOYSA-N
XLogP0.85
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide (CID 113247365) is 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide is Cc1cnc(CNS(=O)(=O)c2ncn(C)c2Cl)o1.
What is the InChIKey of 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is LSEFEFXTEHGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3S/c1-6-3-11-7(17-6)4-13-18(15,16)9-8(10)14(2)5-12-9/h3,5,13H,4H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 290.73 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 113247365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).