5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide

C15H23BrN2O2S — CID 106066144

IUPAC5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NC(C)C2CCCC2)c1Br
InChIInChI=1S/C15H23BrN2O2S/c1-10-7-12(9-17)8-14(15(10)16)21(19,20)18-11(2)13-5-3-4-6-13/h7-8,11,13,18H,3-6,9,17H2,1-2H3
InChIKeyJDLZIZYSSPAGON-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.07
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide

5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide (PubChem CID 106066144) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
PubChem CID106066144
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NC(C)C2CCCC2)c1Br
InChIInChI=1S/C15H23BrN2O2S/c1-10-7-12(9-17)8-14(15(10)16)21(19,20)18-11(2)13-5-3-4-6-13/h7-8,11,13,18H,3-6,9,17H2,1-2H3
InChIKeyJDLZIZYSSPAGON-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091811
5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075431
5-(aminomethyl)-2-bromo-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055720
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide (CID 106066144) is 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)NC(C)C2CCCC2)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
The InChIKey is JDLZIZYSSPAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-10-7-12(9-17)8-14(15(10)16)21(19,20)18-11(2)13-5-3-4-6-13/h7-8,11,13,18H,3-6,9,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.07, 5 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-(1-cyclopentylethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106066144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).