6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide

C14H14ClFN2O2S — CID 43438179

IUPAC6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1C
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-6-12(17)14(9(8)2)21(19,20)18-13-7-10(15)4-5-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyRBISZBDSRSQSMA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43438179) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43438179
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1C
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-6-12(17)14(9(8)2)21(19,20)18-13-7-10(15)4-5-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyRBISZBDSRSQSMA-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

6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide (CID 43438179) is 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1C.
What is the InChIKey of 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is RBISZBDSRSQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-3-6-12(17)14(9(8)2)21(19,20)18-13-7-10(15)4-5-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide 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 6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43438179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).