4-chloro-5-fluoro-2-nitrobenzenesulfonamide

C6H4ClFN2O4S — CID 66077255

IUPAC4-chloro-5-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClFN2O4S/c7-3-1-5(10(11)12)6(2-4(3)8)15(9,13)14/h1-2H,(H2,9,13,14)
InChIKeyONSNOBWVPAHYJF-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.03
Rot. Bonds2

About 4-chloro-5-fluoro-2-nitrobenzenesulfonamide

4-chloro-5-fluoro-2-nitrobenzenesulfonamide (PubChem CID 66077255) has the molecular formula C6H4ClFN2O4S and a molecular weight of 254.63 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-nitrobenzenesulfonamide
PubChem CID66077255
Molecular FormulaC6H4ClFN2O4S
Molecular Weight254.63 g/mol
Exact Mass253.96
IUPAC Name4-chloro-5-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClFN2O4S/c7-3-1-5(10(11)12)6(2-4(3)8)15(9,13)14/h1-2H,(H2,9,13,14)
InChIKeyONSNOBWVPAHYJF-UHFFFAOYSA-N
XLogP1.03
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.03
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

1-chloro-4-(3-chloropropylsulfonyl)-2-fluoro-5-nitrobenzene
CID 66126993
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
1-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-2-fluoro-5-nitrobenzene
CID 66102910
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
1-N-(4-chloro-5-fluoro-2-nitrophenyl)-2-methylpropane-1,2-diamine
CID 113282802
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
N'-(4-chloro-5-fluoro-2-nitrophenyl)butane-1,4-diamine
CID 66079116
3-(4-chloro-5-fluoro-2-nitrophenyl)butan-2-amine
CID 66079416
2-chloro-5-methyl-3-nitrobenzenesulfonamide
CID 63839177
5-chloro-2-methyl-3-nitrobenzenesulfonamide
CID 63839847
5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride
CID 86775488
2,3-difluoro-5-nitrobenzenesulfonamide
CID 63841468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-5-fluoro-2-nitrobenzenesulfonamide (CID 66077255) is 4-chloro-5-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-5-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-5-fluoro-2-nitrobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-5-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is ONSNOBWVPAHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O4S/c7-3-1-5(10(11)12)6(2-4(3)8)15(9,13)14/h1-2H,(H2,9,13,14).
What are the key properties of 4-chloro-5-fluoro-2-nitrobenzenesulfonamide?
4-chloro-5-fluoro-2-nitrobenzenesulfonamide has a molecular weight of 254.63 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 66077255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).