5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide

C14H14BrFN2O2S — CID 114625894

IUPAC5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cc(N)c(Br)cc2C)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-8-3-10(16)6-11(4-8)18-21(19,20)14-7-13(17)12(15)5-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyAMTCOFXSUVJDGZ-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

About 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide

5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 114625894) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID114625894
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cc(N)c(Br)cc2C)c1
InChIInChI=1S/C14H14BrFN2O2S/c1-8-3-10(16)6-11(4-8)18-21(19,20)14-7-13(17)12(15)5-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyAMTCOFXSUVJDGZ-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

2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 79041128
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
5-amino-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 139014532
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (CID 114625894) is 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2cc(N)c(Br)cc2C)c1.
What is the InChIKey of 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is AMTCOFXSUVJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-3-10(16)6-11(4-8)18-21(19,20)14-7-13(17)12(15)5-9(14)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide 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 5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114625894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).