2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide

C12H8ClFN2O4S — CID 43389507

IUPAC2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-11-5-4-10(16(17)18)7-12(11)21(19,20)15-9-3-1-2-8(14)6-9/h1-7,15H
InChIKeyLUNBFANKSAGNCN-UHFFFAOYSA-N
MW330.72 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide

2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide (PubChem CID 43389507) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
PubChem CID43389507
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-11-5-4-10(16(17)18)7-12(11)21(19,20)15-9-3-1-2-8(14)6-9/h1-7,15H
InChIKeyLUNBFANKSAGNCN-UHFFFAOYSA-N
XLogP3.19
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 53.19
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'}

Analyze 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-5-nitrobenzenesulfonic acid
CID 7310
2-Chloro-5-nitrobenzenesulfonamide
CID 66784
2'-Chloro-4'-nitrobenzenesulfonanilide
CID 231836
5-Amino-2-chloro-N-(3-chloro-phenyl)-benzenesulfonamide
CID 3724108
5-amino-2-chloro-N-(2-chlorophenyl)benzene-1-sulfonamide
CID 3822591
2-Chloro-5-nitrobenzenesulfonyl chloride
CID 20630
Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
CID 67302
3-Nitrobenzenesulfonanilide
CID 120051
5-Amino-2-chloro-N-(4-chloro-phenyl)-benzenesulfonamide
CID 3434495
2'-Chloro-3-nitrobenzenesulfonanilide
CID 232034
2-Chloro-5-nitrophenyl disulfide
CID 385950
Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
CID 70350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide (CID 43389507) is 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
The InChIKey is LUNBFANKSAGNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-11-5-4-10(16(17)18)7-12(11)21(19,20)15-9-3-1-2-8(14)6-9/h1-7,15H.
What are the key properties of 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide has a molecular weight of 330.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43389507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).