N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide

C14H13FN2O5S — CID 75393186

IUPACN-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(O)c2F)c1C
InChIInChI=1S/C14H13FN2O5S/c1-8-6-10(17(19)20)7-13(9(8)2)23(21,22)16-11-4-3-5-12(18)14(11)15/h3-7,16,18H,1-2H3
InChIKeyZZZOAPWQQRKCCQ-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.86
Rot. Bonds4

About N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide

N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 75393186) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
PubChem CID75393186
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC NameN-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(O)c2F)c1C
InChIInChI=1S/C14H13FN2O5S/c1-8-6-10(17(19)20)7-13(9(8)2)23(21,22)16-11-4-3-5-12(18)14(11)15/h3-7,16,18H,1-2H3
InChIKeyZZZOAPWQQRKCCQ-UHFFFAOYSA-N
XLogP2.86
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-3-nitrophenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 75456692
N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26486969
N-(3-chloro-2-ethoxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 60579062
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]benzamide
CID 26487023
N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide (CID 75393186) is N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(O)c2F)c1C.
What is the InChIKey of N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is ZZZOAPWQQRKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c1-8-6-10(17(19)20)7-13(9(8)2)23(21,22)16-11-4-3-5-12(18)14(11)15/h3-7,16,18H,1-2H3.
What are the key properties of N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 75393186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).