2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 28556510

IUPAC2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2ccc(F)cc2C)cc1C
InChIInChI=1S/C15H17FN2O2S/c1-9-7-13(17)15(8-10(9)2)21(19,20)18-14-5-4-12(16)6-11(14)3/h4-8,18H,17H2,1-3H3
InChIKeyHVDRQELUNUWPDG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 28556510) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID28556510
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2ccc(F)cc2C)cc1C
InChIInChI=1S/C15H17FN2O2S/c1-9-7-13(17)15(8-10(9)2)21(19,20)18-14-5-4-12(16)6-11(14)3/h4-8,18H,17H2,1-3H3
InChIKeyHVDRQELUNUWPDG-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
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

2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 55044474
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 79041128
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide (CID 28556510) is 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)Nc2ccc(F)cc2C)cc1C.
What is the InChIKey of 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is HVDRQELUNUWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-7-13(17)15(8-10(9)2)21(19,20)18-14-5-4-12(16)6-11(14)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 28556510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).