N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide

C11H12N4O5S — CID 103717307

IUPACN-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C
InChIInChI=1S/C11H12N4O5S/c1-7-12-11(6-14(7)2)21(19,20)13-9-5-8(15(17)18)3-4-10(9)16/h3-6,13,16H,1-2H3
InChIKeySHRKCGCTGSHELB-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.14
Rot. Bonds4

About N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 103717307) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID103717307
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C
InChIInChI=1S/C11H12N4O5S/c1-7-12-11(6-14(7)2)21(19,20)13-9-5-8(15(17)18)3-4-10(9)16/h3-6,13,16H,1-2H3
InChIKeySHRKCGCTGSHELB-UHFFFAOYSA-N
XLogP1.14
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 106831909
N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 64788920
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
CID 107745988
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
CID 107745907
N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 53008171
2-(ethylsulfamoylamino)-4-nitrophenol
CID 107745997
N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066439
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745986
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-[2-(1-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031566
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 103717307) is N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is SHRKCGCTGSHELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-7-12-11(6-14(7)2)21(19,20)13-9-5-8(15(17)18)3-4-10(9)16/h3-6,13,16H,1-2H3.
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 103717307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).