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

C14H14BrFN2O2S — CID 79884837

IUPAC3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-12(17)9(2)14(6-8)21(19,20)18-13-4-3-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyARLRCXQZYVKLHC-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

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

3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79884837) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79884837
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-12(17)9(2)14(6-8)21(19,20)18-13-4-3-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyARLRCXQZYVKLHC-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.59
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-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885868
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide (CID 79884837) is 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is ARLRCXQZYVKLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-5-12(17)9(2)14(6-8)21(19,20)18-13-4-3-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79884837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).