5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 80629038

IUPAC5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1F
InChIInChI=1S/C14H14ClFN2O2S/c1-8-6-10(17)7-13(14(8)16)21(19,20)18-12-5-3-4-11(15)9(12)2/h3-7,18H,17H2,1-2H3
InChIKeyRUSWSRNWABOGKO-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide

5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 80629038) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
PubChem CID80629038
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1F
InChIInChI=1S/C14H14ClFN2O2S/c1-8-6-10(17)7-13(14(8)16)21(19,20)18-12-5-3-4-11(15)9(12)2/h3-7,18H,17H2,1-2H3
InChIKeyRUSWSRNWABOGKO-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 80646356
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide (CID 80629038) is 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1F.
What is the InChIKey of 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is RUSWSRNWABOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-6-10(17)7-13(14(8)16)21(19,20)18-12-5-3-4-11(15)9(12)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide?
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 80629038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).