2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide

C14H11Cl2FN2O4S — CID 8501184

IUPAC2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl
InChIInChI=1S/C14H11Cl2FN2O4S/c1-7-5-10(15)8(2)14(13(7)16)24(22,23)18-9-3-4-11(17)12(6-9)19(20)21/h3-6,18H,1-2H3
InChIKeyUWFFUFFGFFMCBI-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.46
Rot. Bonds4

About 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 8501184) has the molecular formula C14H11Cl2FN2O4S and a molecular weight of 393.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID8501184
Molecular FormulaC14H11Cl2FN2O4S
Molecular Weight393.22 g/mol
Exact Mass391.98
IUPAC Name2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl
InChIInChI=1S/C14H11Cl2FN2O4S/c1-7-5-10(15)8(2)14(13(7)16)24(22,23)18-9-3-4-11(17)12(6-9)19(20)21/h3-6,18H,1-2H3
InChIKeyUWFFUFFGFFMCBI-UHFFFAOYSA-N
XLogP4.46
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.46
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-(3-chloro-4-fluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532770
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 8500581
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide (CID 8501184) is 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is UWFFUFFGFFMCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O4S/c1-7-5-10(15)8(2)14(13(7)16)24(22,23)18-9-3-4-11(17)12(6-9)19(20)21/h3-6,18H,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 393.22 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 8501184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).