2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide

C6H8N4O5S — CID 135463963

IUPAC2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide
SMILESCc1nc(S(=O)(=O)CC(N)=O)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H8N4O5S/c1-3-8-5(10(12)13)6(9-3)16(14,15)2-4(7)11/h2H2,1H3,(H2,7,11)(H,8,9)
InChIKeyCDOYXAOLASGRMY-UHFFFAOYSA-N
MW248.22 g/mol
LogP-1.11
Rot. Bonds4

About 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide

2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide (PubChem CID 135463963) has the molecular formula C6H8N4O5S and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide
PubChem CID135463963
Molecular FormulaC6H8N4O5S
Molecular Weight248.22 g/mol
Exact Mass248.02
IUPAC Name2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide
SMILESCc1nc(S(=O)(=O)CC(N)=O)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H8N4O5S/c1-3-8-5(10(12)13)6(9-3)16(14,15)2-4(7)11/h2H2,1H3,(H2,7,11)(H,8,9)
InChIKeyCDOYXAOLASGRMY-UHFFFAOYSA-N
XLogP-1.11
TPSA149.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 535975
CID 535975
CID 60454
CID 60454
CID 535606
CID 535606
CID 7013322
CID 7013322
CID 136935010
CID 136935010
CID 4871888
CID 4871888
CID 178879182
CID 178879182

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide?
The IUPAC name of 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide (CID 135463963) is 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide?
The canonical SMILES for 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide is Cc1nc(S(=O)(=O)CC(N)=O)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide?
The InChIKey is CDOYXAOLASGRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O5S/c1-3-8-5(10(12)13)6(9-3)16(14,15)2-4(7)11/h2H2,1H3,(H2,7,11)(H,8,9).
What are the key properties of 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide?
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide has a molecular weight of 248.22 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide is sourced from PubChem (CID 135463963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).