2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide

C8H13ClN4O3S — CID 35310377

IUPAC2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H13ClN4O3S/c1-10-6(14)4-13(3)17(15,16)8-7(9)12(2)5-11-8/h5H,4H2,1-3H3,(H,10,14)
InChIKeyFEWGQSFITOVNRT-UHFFFAOYSA-N
MW280.74 g/mol
LogP-0.56
Rot. Bonds4

About 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide

2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 35310377) has the molecular formula C8H13ClN4O3S and a molecular weight of 280.74 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID35310377
Molecular FormulaC8H13ClN4O3S
Molecular Weight280.74 g/mol
Exact Mass280.04
IUPAC Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C8H13ClN4O3S/c1-10-6(14)4-13(3)17(15,16)8-7(9)12(2)5-11-8/h5H,4H2,1-3H3,(H,10,14)
InChIKeyFEWGQSFITOVNRT-UHFFFAOYSA-N
XLogP-0.56
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide (CID 35310377) is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is FEWGQSFITOVNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O3S/c1-10-6(14)4-13(3)17(15,16)8-7(9)12(2)5-11-8/h5H,4H2,1-3H3,(H,10,14).
What are the key properties of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide?
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 280.74 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 35310377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).