5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide

C13H11BrF2N2O2S — CID 65022933

IUPAC5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)cc(F)c2F)ccc1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-4-9(2-3-10(7)14)18-21(19,20)12-6-8(17)5-11(15)13(12)16/h2-6,18H,17H2,1H3
InChIKeyGGVZPRVPZDUNPI-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.42
Rot. Bonds3

About 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide

5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide (PubChem CID 65022933) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
PubChem CID65022933
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC Name5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)cc(F)c2F)ccc1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-4-9(2-3-10(7)14)18-21(19,20)12-6-8(17)5-11(15)13(12)16/h2-6,18H,17H2,1H3
InChIKeyGGVZPRVPZDUNPI-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.42
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-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699455
3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79884838
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide (CID 65022933) is 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(N)cc(F)c2F)ccc1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is GGVZPRVPZDUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-7-4-9(2-3-10(7)14)18-21(19,20)12-6-8(17)5-11(15)13(12)16/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 3.42, 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-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65022933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).