5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide

C14H14ClFN2O2S — CID 61467096

IUPAC5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-10(17)6-14(9(8)2)21(19,20)18-11-3-4-12(15)13(16)7-11/h3-7,18H,17H2,1-2H3
InChIKeyHFCYXHICHOLQDS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 61467096) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID61467096
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-10(17)6-14(9(8)2)21(19,20)18-11-3-4-12(15)13(16)7-11/h3-7,18H,17H2,1-2H3
InChIKeyHFCYXHICHOLQDS-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-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide (CID 61467096) is 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1C.
What is the InChIKey of 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is HFCYXHICHOLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-5-10(17)6-14(9(8)2)21(19,20)18-11-3-4-12(15)13(16)7-11/h3-7,18H,17H2,1-2H3.
What are the key properties of 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(4-chloro-3-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 5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 61467096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).