5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide

C13H11BrCl2N2O2S — CID 106030675

IUPAC5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
SMILESNCc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2S/c14-9-5-4-8(7-17)6-12(9)21(19,20)18-11-3-1-2-10(15)13(11)16/h1-6,18H,7,17H2
InChIKeyOQNMWNHYYVTSOR-UHFFFAOYSA-N
MW410.12 g/mol
LogP4.02
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide (PubChem CID 106030675) has the molecular formula C13H11BrCl2N2O2S and a molecular weight of 410.12 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
PubChem CID106030675
Molecular FormulaC13H11BrCl2N2O2S
Molecular Weight410.12 g/mol
Exact Mass407.91
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
SMILESNCc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2S/c14-9-5-4-8(7-17)6-12(9)21(19,20)18-11-3-1-2-10(15)13(11)16/h1-6,18H,7,17H2
InChIKeyOQNMWNHYYVTSOR-UHFFFAOYSA-N
XLogP4.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.12
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106030714
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
4-(aminomethyl)-2-bromo-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006535
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
CID 60984177
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide (CID 106030675) is 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide is NCc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
The InChIKey is OQNMWNHYYVTSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2S/c14-9-5-4-8(7-17)6-12(9)21(19,20)18-11-3-1-2-10(15)13(11)16/h1-6,18H,7,17H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide has a molecular weight of 410.12 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 106030675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).