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

C10H13ClN4O3S — CID 113356699

IUPAC5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ncn(C)c2Cl)o1
InChIInChI=1S/C10H13ClN4O3S/c1-6-4-12-9(18-6)7(2)14-19(16,17)10-8(11)15(3)5-13-10/h4-5,7,14H,1-3H3
InChIKeyWETBLDNKSBKILT-UHFFFAOYSA-N
MW304.76 g/mol
LogP1.41
Rot. Bonds4

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

5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 113356699) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide
PubChem CID113356699
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ncn(C)c2Cl)o1
InChIInChI=1S/C10H13ClN4O3S/c1-6-4-12-9(18-6)7(2)14-19(16,17)10-8(11)15(3)5-13-10/h4-5,7,14H,1-3H3
InChIKeyWETBLDNKSBKILT-UHFFFAOYSA-N
XLogP1.41
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 51.41
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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide (CID 113356699) is 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2ncn(C)c2Cl)o1.
What is the InChIKey of 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is WETBLDNKSBKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c1-6-4-12-9(18-6)7(2)14-19(16,17)10-8(11)15(3)5-13-10/h4-5,7,14H,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 304.76 g/mol, XLogP of 1.41, 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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 113356699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).