5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide

C14H14BrClN2O2S — CID 106031168

IUPAC5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)ccc1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-9-2-4-11(16)7-13(9)18-21(19,20)14-6-10(8-17)3-5-12(14)15/h2-7,18H,8,17H2,1H3
InChIKeyXMRSYXIYIROIMF-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.67
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 106031168) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID106031168
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)ccc1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-9-2-4-11(16)7-13(9)18-21(19,20)14-6-10(8-17)3-5-12(14)15/h2-7,18H,8,17H2,1H3
InChIKeyXMRSYXIYIROIMF-UHFFFAOYSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675
5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide (CID 106031168) is 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(CN)ccc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is XMRSYXIYIROIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-9-2-4-11(16)7-13(9)18-21(19,20)14-6-10(8-17)3-5-12(14)15/h2-7,18H,8,17H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.67, 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-(5-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106031168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).