5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide

C10H9ClN4O4S — CID 43456020

IUPAC5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1Cl
InChIInChI=1S/C10H9ClN4O4S/c1-14-6-12-10(9(14)11)20(18,19)13-7-2-4-8(5-3-7)15(16)17/h2-6,13H,1H3
InChIKeyQIKSUYSEXCGOCG-UHFFFAOYSA-N
MW316.73 g/mol
LogP1.78
Rot. Bonds4

About 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide (PubChem CID 43456020) has the molecular formula C10H9ClN4O4S and a molecular weight of 316.73 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
PubChem CID43456020
Molecular FormulaC10H9ClN4O4S
Molecular Weight316.73 g/mol
Exact Mass316.00
IUPAC Name5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1Cl
InChIInChI=1S/C10H9ClN4O4S/c1-14-6-12-10(9(14)11)20(18,19)13-7-2-4-8(5-3-7)15(16)17/h2-6,13H,1H3
InChIKeyQIKSUYSEXCGOCG-UHFFFAOYSA-N
XLogP1.78
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.78
H-Bond Donors ≤ 51
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

N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61053109
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
CID 61051631
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
N-(4-nitrophenyl)pyrimidine-2-sulfonamide
CID 172600186
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide (CID 43456020) is 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide?
The InChIKey is QIKSUYSEXCGOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O4S/c1-14-6-12-10(9(14)11)20(18,19)13-7-2-4-8(5-3-7)15(16)17/h2-6,13H,1H3.
What are the key properties of 5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide has a molecular weight of 316.73 g/mol, XLogP of 1.78, 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-(4-nitrophenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 43456020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).