2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide

C15H23BrN2O2S — CID 114551902

IUPAC2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCNCc1cc(C)c(Br)c(S(=O)(=O)NC2CCC(C)C2)c1
InChIInChI=1S/C15H23BrN2O2S/c1-10-4-5-13(6-10)18-21(19,20)14-8-12(9-17-3)7-11(2)15(14)16/h7-8,10,13,17-18H,4-6,9H2,1-3H3
InChIKeyLLEAEEIUCWOUAZ-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.94
Rot. Bonds5

About 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide

2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114551902) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114551902
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCNCc1cc(C)c(Br)c(S(=O)(=O)NC2CCC(C)C2)c1
InChIInChI=1S/C15H23BrN2O2S/c1-10-4-5-13(6-10)18-21(19,20)14-8-12(9-17-3)7-11(2)15(14)16/h7-8,10,13,17-18H,4-6,9H2,1-3H3
InChIKeyLLEAEEIUCWOUAZ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,2-dimethylcyclopropyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364856
2-bromo-5-[(cyclopropylamino)methyl]-N,3-dimethylbenzenesulfonamide
CID 114364377
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide
CID 114364308
2-bromo-3-methyl-5-(methylaminomethyl)-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 106079464
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365761
2-bromo-N-(cyclobutylmethyl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365049
2-methyl-N-(3-methylcyclopentyl)-5-nitrobenzenesulfonamide
CID 114545232

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114551902) is 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide is CNCc1cc(C)c(Br)c(S(=O)(=O)NC2CCC(C)C2)c1.
What is the InChIKey of 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is LLEAEEIUCWOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-10-4-5-13(6-10)18-21(19,20)14-8-12(9-17-3)7-11(2)15(14)16/h7-8,10,13,17-18H,4-6,9H2,1-3H3.
What are the key properties of 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114551902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).