N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide

C12H7ClF2N2O4S — CID 17405978

IUPACN-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O4S/c13-9-5-7(14)1-3-10(9)16-22(20,21)12-4-2-8(15)6-11(12)17(18)19/h1-6,16H
InChIKeyQRPBPCVBCDPUBY-UHFFFAOYSA-N
MW348.71 g/mol
LogP3.33
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide

N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide (PubChem CID 17405978) has the molecular formula C12H7ClF2N2O4S and a molecular weight of 348.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
PubChem CID17405978
Molecular FormulaC12H7ClF2N2O4S
Molecular Weight348.71 g/mol
Exact Mass347.98
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O4S/c13-9-5-7(14)1-3-10(9)16-22(20,21)12-4-2-8(15)6-11(12)17(18)19/h1-6,16H
InChIKeyQRPBPCVBCDPUBY-UHFFFAOYSA-N
XLogP3.33
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 53.33
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

N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 26951674
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
N-(3-chloropropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43246366
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148025
4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 43502076
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide (CID 17405978) is N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is QRPBPCVBCDPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O4S/c13-9-5-7(14)1-3-10(9)16-22(20,21)12-4-2-8(15)6-11(12)17(18)19/h1-6,16H.
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide has a molecular weight of 348.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 17405978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).