N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide

C13H10ClFN2O4S — CID 24656265

IUPACN-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClFN2O4S/c1-8-6-9(15)2-5-13(8)22(20,21)16-10-3-4-11(14)12(7-10)17(18)19/h2-7,16H,1H3
InChIKeyBFFWPZXMEFUPCH-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.50
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide

N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 24656265) has the molecular formula C13H10ClFN2O4S and a molecular weight of 344.75 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID24656265
Molecular FormulaC13H10ClFN2O4S
Molecular Weight344.75 g/mol
Exact Mass344.00
IUPAC NameN-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClFN2O4S/c1-8-6-9(15)2-5-13(8)22(20,21)16-10-3-4-11(14)12(7-10)17(18)19/h2-7,16H,1H3
InChIKeyBFFWPZXMEFUPCH-UHFFFAOYSA-N
XLogP3.50
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
5-tert-butyl-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 7940729
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
5-[(4-chloro-3-nitrophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26970860
N-(3-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 82865494
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide (CID 24656265) is N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is BFFWPZXMEFUPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O4S/c1-8-6-9(15)2-5-13(8)22(20,21)16-10-3-4-11(14)12(7-10)17(18)19/h2-7,16H,1H3.
What are the key properties of N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 344.75 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 24656265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).