3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide

C15H17FN2O2S — CID 115421078

IUPAC3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)c(F)c(N)c2)cc1C
InChIInChI=1S/C15H17FN2O2S/c1-9-4-5-12(6-10(9)2)18-21(19,20)13-7-11(3)15(16)14(17)8-13/h4-8,18H,17H2,1-3H3
InChIKeyMJTNYYZICHMKLQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide

3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 115421078) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
PubChem CID115421078
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)c(F)c(N)c2)cc1C
InChIInChI=1S/C15H17FN2O2S/c1-9-4-5-12(6-10(9)2)18-21(19,20)13-7-11(3)15(16)14(17)8-13/h4-8,18H,17H2,1-3H3
InChIKeyMJTNYYZICHMKLQ-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

3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide (CID 115421078) is 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C)c(F)c(N)c2)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is MJTNYYZICHMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-4-5-12(6-10(9)2)18-21(19,20)13-7-11(3)15(16)14(17)8-13/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide 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 3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 115421078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).