2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide

C14H14BrClN2O2S — CID 103171459

IUPAC2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(Br)ccc2Cl)c1N
InChIInChI=1S/C14H14BrClN2O2S/c1-8-3-4-9(2)14(13(8)17)21(19,20)18-12-7-10(15)5-6-11(12)16/h3-7,18H,17H2,1-2H3
InChIKeyVNMNUHNDLRFJFI-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.10
Rot. Bonds3

About 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171459) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171459
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(Br)ccc2Cl)c1N
InChIInChI=1S/C14H14BrClN2O2S/c1-8-3-4-9(2)14(13(8)17)21(19,20)18-12-7-10(15)5-6-11(12)16/h3-7,18H,17H2,1-2H3
InChIKeyVNMNUHNDLRFJFI-UHFFFAOYSA-N
XLogP4.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide (CID 103171459) is 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)ccc2Cl)c1N.
What is the InChIKey of 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is VNMNUHNDLRFJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-8-3-4-9(2)14(13(8)17)21(19,20)18-12-7-10(15)5-6-11(12)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).